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

C4H7N3O — CID 22099238

IUPAC(5-methyl-1H-1,2,4-triazol-3-yl)methanol
SMILESCc1nc(CO)n[nH]1
InChIInChI=1S/C4H7N3O/c1-3-5-4(2-8)7-6-3/h8H,2H2,1H3,(H,5,6,7)
InChIKeyBMTFHVKZYIOHBE-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.39
Rot. Bonds1

About (5-methyl-1H-1,2,4-triazol-3-yl)methanol

(5-methyl-1H-1,2,4-triazol-3-yl)methanol (PubChem CID 22099238) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is (5-methyl-1H-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1H-1,2,4-triazol-3-yl)methanol
PubChem CID22099238
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name(5-methyl-1H-1,2,4-triazol-3-yl)methanol
SMILESCc1nc(CO)n[nH]1
InChIInChI=1S/C4H7N3O/c1-3-5-4(2-8)7-6-3/h8H,2H2,1H3,(H,5,6,7)
InChIKeyBMTFHVKZYIOHBE-UHFFFAOYSA-N
XLogP-0.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (5-methyl-1H-1,2,4-triazol-3-yl)methanol (CID 22099238) is (5-methyl-1H-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (5-methyl-1H-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (5-methyl-1H-1,2,4-triazol-3-yl)methanol is Cc1nc(CO)n[nH]1.
What is the InChIKey of (5-methyl-1H-1,2,4-triazol-3-yl)methanol?
The InChIKey is BMTFHVKZYIOHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-3-5-4(2-8)7-6-3/h8H,2H2,1H3,(H,5,6,7).
What are the key properties of (5-methyl-1H-1,2,4-triazol-3-yl)methanol?
(5-methyl-1H-1,2,4-triazol-3-yl)methanol has a molecular weight of 113.12 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 22099238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).