[3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol

C4H7N3O2 — CID 3245555

IUPAC[3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESOCc1n[nH]c(CO)n1
InChIInChI=1S/C4H7N3O2/c8-1-3-5-4(2-9)7-6-3/h8-9H,1-2H2,(H,5,6,7)
InChIKeyIJAWKJPOFXUWBR-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.21
Rot. Bonds2

About [3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol

[3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 3245555) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID3245555
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name[3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESOCc1n[nH]c(CO)n1
InChIInChI=1S/C4H7N3O2/c8-1-3-5-4(2-9)7-6-3/h8-9H,1-2H2,(H,5,6,7)
InChIKeyIJAWKJPOFXUWBR-UHFFFAOYSA-N
XLogP-1.21
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol (CID 3245555) is [3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol is OCc1n[nH]c(CO)n1.
What is the InChIKey of [3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is IJAWKJPOFXUWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c8-1-3-5-4(2-9)7-6-3/h8-9H,1-2H2,(H,5,6,7).
What are the key properties of [3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 129.12 g/mol, XLogP of -1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 3245555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).