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

C10H10ClN3O — CID 79600627

IUPAC[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
SMILESOCc1n[nH]c(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H10ClN3O/c11-8-3-1-7(2-4-8)5-9-12-10(6-15)14-13-9/h1-4,15H,5-6H2,(H,12,13,14)
InChIKeyVFHDQVGVLVOWMW-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.54
Rot. Bonds3

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

[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol (PubChem CID 79600627) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
PubChem CID79600627
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
SMILESOCc1n[nH]c(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H10ClN3O/c11-8-3-1-7(2-4-8)5-9-12-10(6-15)14-13-9/h1-4,15H,5-6H2,(H,12,13,14)
InChIKeyVFHDQVGVLVOWMW-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol (CID 79600627) is [5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol is OCc1n[nH]c(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of [5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol?
The InChIKey is VFHDQVGVLVOWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-8-3-1-7(2-4-8)5-9-12-10(6-15)14-13-9/h1-4,15H,5-6H2,(H,12,13,14).
What are the key properties of [5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol?
[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol has a molecular weight of 223.66 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 79600627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).