1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol (CHEBI:139343)

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CHEBI:139343 - 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol

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ChEBI ID	CHEBI:139343
ChEBI Name	1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
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ASCII Name	1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
Definition	A member of the class of triazoles that is 2,2-dimethylpentane that is substituted at positions 2, 3, and 5 by hydroxy, 1,2,4-triazol-1-yl, and p-chlorophenyl groups, respectively.
Last Modified	21 December 2017
Submitter	Gareth Owen
Downloads	Molfile

Formula	C15H20ClN3O
Net Charge	0
Average Mass	293.798
Monoisotopic Mass	293.12949
SMILES	CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1
InChI	InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3
InChIKey	RMOGWMIKYWRTKW-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol (CHEBI:139343) is a monochlorobenzenes (CHEBI:83403)
	1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol (CHEBI:139343) is a secondary alcohol (CHEBI:35681)
	1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol (CHEBI:139343) is a triazoles (CHEBI:35727)
Incoming Relation(s)
	(R,R)-paclobutrazol (CHEBI:139345) is a 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol (CHEBI:139343)
	(S,S)-paclobutrazol (CHEBI:139344) is a 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol (CHEBI:139343)

IUPAC Name
1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol

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