2-diazenyl-2-(3-hydroxypropyl)propanedinitrile

C6H8N4O — CID 57198752

IUPAC2-diazenyl-2-(3-hydroxypropyl)propanedinitrile
SMILES[H]/N=N/C(C#N)(C#N)CCCO
InChIInChI=1S/C6H8N4O/c7-4-6(5-8,10-9)2-1-3-11/h9,11H,1-3H2/b10-9+
InChIKeyHCSUPMDXIPTQFP-MDZDMXLPSA-N
MW152.16 g/mol
LogP0.58
Rot. Bonds4

About 2-diazenyl-2-(3-hydroxypropyl)propanedinitrile

2-diazenyl-2-(3-hydroxypropyl)propanedinitrile (PubChem CID 57198752) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-diazenyl-2-(3-hydroxypropyl)propanedinitrile.

Molecular Properties

Compound Name2-diazenyl-2-(3-hydroxypropyl)propanedinitrile
PubChem CID57198752
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name2-diazenyl-2-(3-hydroxypropyl)propanedinitrile
SMILES[H]/N=N/C(C#N)(C#N)CCCO
InChIInChI=1S/C6H8N4O/c7-4-6(5-8,10-9)2-1-3-11/h9,11H,1-3H2/b10-9+
InChIKeyHCSUPMDXIPTQFP-MDZDMXLPSA-N
XLogP0.58
TPSA104.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5,5-dicyano-5-diazenylpentanamide
CID 146520841
2-[2-(2-cyano-5-hydroxypentan-2-yl)hydrazinyl]-5-hydroxy-2-methylpentanenitrile
CID 14298742
3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile
CID 174779390
ethane;5-hydroxypentanenitrile
CID 144859936
(2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile
CID 170160766
3-acetyl-3-diazenyl-2,2,4,4-tetramethylpentanedinitrile
CID 175022889
2-[(2-cyano-4-hydroxybutan-2-yl)diazenyl]-4-hydroxy-2-methylbutanenitrile;2-[(2-cyano-1-hydroxypropan-2-yl)diazenyl]-3-hydroxy-2-methylpropanenitrile
CID 160702229
2-(diazenylmethyl)-2,3,3-trimethylbutanenitrile
CID 57089113
4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
CID 107851566
propane-1,3-diol;prop-2-enenitrile
CID 174190205
tricosane-1,23-diol
CID 25144332
pentadecane-1,15-diol
CID 518994

Frequently Asked Questions

What is the IUPAC name of 2-diazenyl-2-(3-hydroxypropyl)propanedinitrile?
The IUPAC name of 2-diazenyl-2-(3-hydroxypropyl)propanedinitrile (CID 57198752) is 2-diazenyl-2-(3-hydroxypropyl)propanedinitrile.
What is the SMILES notation for 2-diazenyl-2-(3-hydroxypropyl)propanedinitrile?
The canonical SMILES for 2-diazenyl-2-(3-hydroxypropyl)propanedinitrile is [H]/N=N/C(C#N)(C#N)CCCO.
What is the InChIKey of 2-diazenyl-2-(3-hydroxypropyl)propanedinitrile?
The InChIKey is HCSUPMDXIPTQFP-MDZDMXLPSA-N. The full InChI is InChI=1S/C6H8N4O/c7-4-6(5-8,10-9)2-1-3-11/h9,11H,1-3H2/b10-9+.
What are the key properties of 2-diazenyl-2-(3-hydroxypropyl)propanedinitrile?
2-diazenyl-2-(3-hydroxypropyl)propanedinitrile has a molecular weight of 152.16 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenyl-2-(3-hydroxypropyl)propanedinitrile is sourced from PubChem (CID 57198752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).