(1-methyl-1,2,4-triazol-3-yl)methanol

C4H7N3O — CID 10351670

IUPAC(1-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1cnc(CO)n1
InChIInChI=1S/C4H7N3O/c1-7-3-5-4(2-8)6-7/h3,8H,2H2,1H3
InChIKeyWEDYTSQNYJKOPC-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.69
Rot. Bonds1

About (1-methyl-1,2,4-triazol-3-yl)methanol

(1-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 10351670) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is (1-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(1-methyl-1,2,4-triazol-3-yl)methanol
PubChem CID10351670
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name(1-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1cnc(CO)n1
InChIInChI=1S/C4H7N3O/c1-7-3-5-4(2-8)6-7/h3,8H,2H2,1H3
InChIKeyWEDYTSQNYJKOPC-UHFFFAOYSA-N
XLogP-0.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (1-methyl-1,2,4-triazol-3-yl)methanol (CID 10351670) is (1-methyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (1-methyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (1-methyl-1,2,4-triazol-3-yl)methanol is Cn1cnc(CO)n1.
What is the InChIKey of (1-methyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is WEDYTSQNYJKOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-7-3-5-4(2-8)6-7/h3,8H,2H2,1H3.
What are the key properties of (1-methyl-1,2,4-triazol-3-yl)methanol?
(1-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 113.12 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 10351670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).