2-diazenylpropane-1,2-diol

C3H8N2O2 — CID 174859273

IUPAC2-diazenylpropane-1,2-diol
SMILES[H]/N=N/C(C)(O)CO
InChIInChI=1S/C3H8N2O2/c1-3(7,2-6)5-4/h4,6-7H,2H2,1H3/b5-4+
InChIKeyRCVOUFZCKAVAMB-SNAWJCMRSA-N
MW104.11 g/mol
LogP-0.28
Rot. Bonds2

About 2-diazenylpropane-1,2-diol

2-diazenylpropane-1,2-diol (PubChem CID 174859273) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-diazenylpropane-1,2-diol.

Molecular Properties

Compound Name2-diazenylpropane-1,2-diol
PubChem CID174859273
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Name2-diazenylpropane-1,2-diol
SMILES[H]/N=N/C(C)(O)CO
InChIInChI=1S/C3H8N2O2/c1-3(7,2-6)5-4/h4,6-7H,2H2,1H3/b5-4+
InChIKeyRCVOUFZCKAVAMB-SNAWJCMRSA-N
XLogP-0.28
TPSA76.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2,3-dimethylbutan-2-yldiazene
CID 130441706
(2S,3S)-2,3-dimethylbutane-1,2,3,4-tetrol
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2,3-dimethylbutane-1,2,3,4-tetrol
CID 130147728
2-diazenyl-N-methylbutan-2-amine
CID 163770024
1-diazenyl-2-methylbutan-2-ol
CID 118963685
1-diazenylpropane-1,1-diamine
CID 57165704
CID 122549987
CID 122549987
2-silylpropane-1,2-diol
CID 173442729
3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile
CID 174779390
2-diazenyl-2-(3-hydroxypropyl)propanedinitrile
CID 57198752
(2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile
CID 170160766
2-[diazenyl(oxido)amino]propan-2-ol
CID 163568258

Frequently Asked Questions

What is the IUPAC name of 2-diazenylpropane-1,2-diol?
The IUPAC name of 2-diazenylpropane-1,2-diol (CID 174859273) is 2-diazenylpropane-1,2-diol.
What is the SMILES notation for 2-diazenylpropane-1,2-diol?
The canonical SMILES for 2-diazenylpropane-1,2-diol is [H]/N=N/C(C)(O)CO.
What is the InChIKey of 2-diazenylpropane-1,2-diol?
The InChIKey is RCVOUFZCKAVAMB-SNAWJCMRSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-3(7,2-6)5-4/h4,6-7H,2H2,1H3/b5-4+.
What are the key properties of 2-diazenylpropane-1,2-diol?
2-diazenylpropane-1,2-diol has a molecular weight of 104.11 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenylpropane-1,2-diol is sourced from PubChem (CID 174859273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).