[4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol

C11H11F2N3O — CID 150254113

IUPAC[4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol
SMILESCn1nc(C(F)F)nc1-c1ccc(CO)cc1
InChIInChI=1S/C11H11F2N3O/c1-16-11(14-10(15-16)9(12)13)8-4-2-7(6-17)3-5-8/h2-5,9,17H,6H2,1H3
InChIKeyGAEPZKVHHRNDBY-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.91
Rot. Bonds3

About [4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol

[4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol (PubChem CID 150254113) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is [4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol
PubChem CID150254113
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name[4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol
SMILESCn1nc(C(F)F)nc1-c1ccc(CO)cc1
InChIInChI=1S/C11H11F2N3O/c1-16-11(14-10(15-16)9(12)13)8-4-2-7(6-17)3-5-8/h2-5,9,17H,6H2,1H3
InChIKeyGAEPZKVHHRNDBY-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol 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 [4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol (CID 150254113) is [4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol is Cn1nc(C(F)F)nc1-c1ccc(CO)cc1.
What is the InChIKey of [4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol?
The InChIKey is GAEPZKVHHRNDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-11(14-10(15-16)9(12)13)8-4-2-7(6-17)3-5-8/h2-5,9,17H,6H2,1H3.
What are the key properties of [4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol?
[4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol has a molecular weight of 239.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol is sourced from PubChem (CID 150254113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).