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

C6H11N3O — CID 914361

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol
SMILESCc1nc(C(C)(C)O)n[nH]1
InChIInChI=1S/C6H11N3O/c1-4-7-5(9-8-4)6(2,3)10/h10H,1-3H3,(H,7,8,9)
InChIKeyNDSNMUVZDZUQLL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.34
Rot. Bonds1

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

2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 914361) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID914361
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol
SMILESCc1nc(C(C)(C)O)n[nH]1
InChIInChI=1S/C6H11N3O/c1-4-7-5(9-8-4)6(2,3)10/h10H,1-3H3,(H,7,8,9)
InChIKeyNDSNMUVZDZUQLL-UHFFFAOYSA-N
XLogP0.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol (CID 914361) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol is Cc1nc(C(C)(C)O)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is NDSNMUVZDZUQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-7-5(9-8-4)6(2,3)10/h10H,1-3H3,(H,7,8,9).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol?
2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 141.17 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 914361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).