(2S,3S)-3-(aminodiazenyl)pentan-2-ol

C5H13N3O — CID 89325798

IUPAC(2S,3S)-3-(aminodiazenyl)pentan-2-ol
SMILESCC[C@H](/N=N/N)[C@H](C)O
InChIInChI=1S/C5H13N3O/c1-3-5(4(2)9)7-8-6/h4-5,9H,3H2,1-2H3,(H2,6,7)/t4-,5-/m0/s1
InChIKeyVLIMIOGFXLOTSL-WHFBIAKZSA-N
MW131.18 g/mol
LogP0.47
Rot. Bonds3

About (2S,3S)-3-(aminodiazenyl)pentan-2-ol

(2S,3S)-3-(aminodiazenyl)pentan-2-ol (PubChem CID 89325798) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is (2S,3S)-3-(aminodiazenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(aminodiazenyl)pentan-2-ol
PubChem CID89325798
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name(2S,3S)-3-(aminodiazenyl)pentan-2-ol
SMILESCC[C@H](/N=N/N)[C@H](C)O
InChIInChI=1S/C5H13N3O/c1-3-5(4(2)9)7-8-6/h4-5,9H,3H2,1-2H3,(H2,6,7)/t4-,5-/m0/s1
InChIKeyVLIMIOGFXLOTSL-WHFBIAKZSA-N
XLogP0.47
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxypentan-3-yl)guanidine
CID 131162693
pentan-3-ol
CID 11428
2-methylbutane;3-methylbutan-2-ol
CID 87553210
(2S,3R)-3-methylpentan-2-ol
CID 6993006
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
3-aminohexane-2,4-diol
CID 144515569
hydroxylamine;2-methylbutane
CID 175063986
aluminum butan-2-ol
CID 23623700
pentakis(butan-2-ol);molybdenum
CID 152613437
CID 157498325
CID 157498325
pentan-3-ol;dihydrochloride
CID 141116397
tris(butan-2-ol);gallane
CID 175569742

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(aminodiazenyl)pentan-2-ol?
The IUPAC name of (2S,3S)-3-(aminodiazenyl)pentan-2-ol (CID 89325798) is (2S,3S)-3-(aminodiazenyl)pentan-2-ol.
What is the SMILES notation for (2S,3S)-3-(aminodiazenyl)pentan-2-ol?
The canonical SMILES for (2S,3S)-3-(aminodiazenyl)pentan-2-ol is CC[C@H](/N=N/N)[C@H](C)O.
What is the InChIKey of (2S,3S)-3-(aminodiazenyl)pentan-2-ol?
The InChIKey is VLIMIOGFXLOTSL-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H13N3O/c1-3-5(4(2)9)7-8-6/h4-5,9H,3H2,1-2H3,(H2,6,7)/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-3-(aminodiazenyl)pentan-2-ol?
(2S,3S)-3-(aminodiazenyl)pentan-2-ol has a molecular weight of 131.18 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(aminodiazenyl)pentan-2-ol is sourced from PubChem (CID 89325798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).