2-[diazenyl(oxido)amino]propan-2-ol

C3H8N3O2- — CID 163568258

IUPAC2-[diazenyl(oxido)amino]propan-2-ol
SMILES[H]/N=N/N([O-])C(C)(C)O
InChIInChI=1S/C3H8N3O2/c1-3(2,7)6(8)5-4/h4,7H,1-2H3/q-1/b5-4+
InChIKeyQSTOMFMKBBGDRU-SNAWJCMRSA-N
MW118.12 g/mol
LogP0.46
Rot. Bonds2

About 2-[diazenyl(oxido)amino]propan-2-ol

2-[diazenyl(oxido)amino]propan-2-ol (PubChem CID 163568258) has the molecular formula C3H8N3O2- and a molecular weight of 118.12 g/mol. Its IUPAC name is 2-[diazenyl(oxido)amino]propan-2-ol.

Molecular Properties

Compound Name2-[diazenyl(oxido)amino]propan-2-ol
PubChem CID163568258
Molecular FormulaC3H8N3O2-
Molecular Weight118.12 g/mol
Exact Mass118.06
IUPAC Name2-[diazenyl(oxido)amino]propan-2-ol
SMILES[H]/N=N/N([O-])C(C)(C)O
InChIInChI=1S/C3H8N3O2/c1-3(2,7)6(8)5-4/h4,7H,1-2H3/q-1/b5-4+
InChIKeyQSTOMFMKBBGDRU-SNAWJCMRSA-N
XLogP0.46
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.12
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-diazenyl-N-methylmethanamine
CID 15178355
2-[amino(oxido)amino]propan-2-ol
CID 163562272
N-diazenyl-2-methyl-N-(methylamino)propan-2-amine
CID 146512453
2-diazenylpropane-1,2-diol
CID 174859273
[diazenyl(oxido)amino]oxyiminomethane
CID 163841078
CID 154406351
CID 154406351
2-(dimethylamino)propan-2-ol
CID 11251968
sodium N-diazenyl-N-ethylethanamine
CID 172778091
carboxy(diazenyl)carbamic acid
CID 21461025
1-diazenyl-2-methylbutan-2-ol
CID 118963685
formazan;2-hydroxy-2-methylpropanoic acid
CID 158353777
N-diazenyl-N,3-dimethylbutan-2-amine
CID 146507208

Frequently Asked Questions

What is the IUPAC name of 2-[diazenyl(oxido)amino]propan-2-ol?
The IUPAC name of 2-[diazenyl(oxido)amino]propan-2-ol (CID 163568258) is 2-[diazenyl(oxido)amino]propan-2-ol.
What is the SMILES notation for 2-[diazenyl(oxido)amino]propan-2-ol?
The canonical SMILES for 2-[diazenyl(oxido)amino]propan-2-ol is [H]/N=N/N([O-])C(C)(C)O.
What is the InChIKey of 2-[diazenyl(oxido)amino]propan-2-ol?
The InChIKey is QSTOMFMKBBGDRU-SNAWJCMRSA-N. The full InChI is InChI=1S/C3H8N3O2/c1-3(2,7)6(8)5-4/h4,7H,1-2H3/q-1/b5-4+.
What are the key properties of 2-[diazenyl(oxido)amino]propan-2-ol?
2-[diazenyl(oxido)amino]propan-2-ol has a molecular weight of 118.12 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diazenyl(oxido)amino]propan-2-ol is sourced from PubChem (CID 163568258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).