EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:149521 - NOC-5

ChEBI IDCHEBI:149521
ChEBI NameNOC-5
Stars
DefinitionA nitroso compound that is triazane in which the nitrogen at position 1 is substituted by an isopropyl group and a 3-aminopropyl group, that at position 2 is substituted by a hydroxy group, and that at position 3 is substituted by an oxo group. It is a nitric oxide donor.
Last Modified21 April 2020
Submitterrnash
DownloadsMolfile
FormulaC6H16N4O2
Net Charge0
Average Mass176.220
Monoisotopic Mass176.12733
SMILESCC(C)N(CCCN)N(O)N=O
InChIInChI=1S/C6H16N4O2/c1-6(2)9(5-3-4-7)10(12)8-11/h6,12H,3-5,7H2,1-2H3
InChIKeyWEHZRCACNLQADC-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
nitric oxide donor  An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
NOC-5 (CHEBI:149521) has role nitric oxide donor (CHEBI:50566)
NOC-5 (CHEBI:149521) is a nitroso compound (CHEBI:35800)
NOC-5 (CHEBI:149521) is a primary amino compound (CHEBI:50994)
NOC-5 (CHEBI:149521) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-(3-aminopropyl)-N-hydroxy-N-propan-2-ylnitrous hydrazide
Synonyms  Source
3-[2-hydroxy-1-(1-methylethyl)-2-nitrosohydrazinyl]-1-propanamineSUBMITTER
3-(aminopropyl)-1-hydroxy-3-isopropyl-2-oxo-1-triazeneSUBMITTER
1-hydroxy-2-oxo-3-(3-aminopropyl)-3-isopropyl-1-triazeneChemIDplus
NOC5SUBMITTER
NOC 5ChemIDplus
3-(2-hydroxy-1-(1-methylethyl)-2-nitrosohydrazino)-1-propanamineChemIDplus
Registry NumbersSources
CAS:146724-82-5ChemIDplus
Citations