[5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol

C10H10ClN3O — CID 146469015

IUPAC[5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(Cl)cc2)c1CO
InChIInChI=1S/C10H10ClN3O/c1-14-9(6-15)10(12-13-14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3
InChIKeyYZJVGQMWOSAMQG-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.63
Rot. Bonds2

About [5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol

[5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol (PubChem CID 146469015) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol
PubChem CID146469015
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name[5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(Cl)cc2)c1CO
InChIInChI=1S/C10H10ClN3O/c1-14-9(6-15)10(12-13-14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3
InChIKeyYZJVGQMWOSAMQG-UHFFFAOYSA-N
XLogP1.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol (CID 146469015) is [5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol is Cn1nnc(-c2ccc(Cl)cc2)c1CO.
What is the InChIKey of [5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol?
The InChIKey is YZJVGQMWOSAMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-14-9(6-15)10(12-13-14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol?
[5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol has a molecular weight of 223.66 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-methyltriazol-4-yl]methanol is sourced from PubChem (CID 146469015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).