3-(1,2,4-triazol-1-yl)propane-1,2-diol

C5H9N3O2 — CID 54482921

IUPAC3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESOCC(O)Cn1cncn1
InChIInChI=1S/C5H9N3O2/c9-2-5(10)1-8-4-6-3-7-8/h3-5,9-10H,1-2H2
InChIKeyXQHCOAKPKHNRHI-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.37
Rot. Bonds3

About 3-(1,2,4-triazol-1-yl)propane-1,2-diol

3-(1,2,4-triazol-1-yl)propane-1,2-diol (PubChem CID 54482921) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)propane-1,2-diol
PubChem CID54482921
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESOCC(O)Cn1cncn1
InChIInChI=1S/C5H9N3O2/c9-2-5(10)1-8-4-6-3-7-8/h3-5,9-10H,1-2H2
InChIKeyXQHCOAKPKHNRHI-UHFFFAOYSA-N
XLogP-1.37
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
CID 84650507
1H-1,2,4-Triazole-1-ethanol
CID 550925
{[2-Hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy]methyl}phosphonic acid
CID 44367766
3-(1H-1,2,4-triazol-1-yl)propan-1-ol
CID 4711802
1,1,1-trifluoro-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
CID 63900635
3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
CID 2783851
2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid hydrochloride
CID 132300826
1,1-Difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 21249467
1,1,3-Trifluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 117763769
1-fluoro-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
CID 130933228
1-(5-Fluoro-1,2,4-triazol-1-yl)butan-2-ol
CID 141134678
1-Fluoro-1-(1,2,4-triazol-1-yl)propan-2-ol
CID 152278224

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The IUPAC name of 3-(1,2,4-triazol-1-yl)propane-1,2-diol (CID 54482921) is 3-(1,2,4-triazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)propane-1,2-diol is OCC(O)Cn1cncn1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The InChIKey is XQHCOAKPKHNRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c9-2-5(10)1-8-4-6-3-7-8/h3-5,9-10H,1-2H2.
What are the key properties of 3-(1,2,4-triazol-1-yl)propane-1,2-diol?
3-(1,2,4-triazol-1-yl)propane-1,2-diol has a molecular weight of 143.15 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 54482921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).