(2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol

C10H9F2N3O — CID 82822036

IUPAC(2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCc1ccc(F)c(C(O)c2ncn[nH]2)c1F
InChIInChI=1S/C10H9F2N3O/c1-5-2-3-6(11)7(8(5)12)9(16)10-13-4-14-15-10/h2-4,9,16H,1H3,(H,13,14,15)
InChIKeyJZZZKELTZAAAAG-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.47
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol

(2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 82822036) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
PubChem CID82822036
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name(2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCc1ccc(F)c(C(O)c2ncn[nH]2)c1F
InChIInChI=1S/C10H9F2N3O/c1-5-2-3-6(11)7(8(5)12)9(16)10-13-4-14-15-10/h2-4,9,16H,1H3,(H,13,14,15)
InChIKeyJZZZKELTZAAAAG-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)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 (2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol (CID 82822036) is (2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol is Cc1ccc(F)c(C(O)c2ncn[nH]2)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is JZZZKELTZAAAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-5-2-3-6(11)7(8(5)12)9(16)10-13-4-14-15-10/h2-4,9,16H,1H3,(H,13,14,15).
What are the key properties of (2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
(2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 225.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 82822036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).