[1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol

C10H10ClN3O — CID 53364717

IUPAC[1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O/c1-7-10(6-15)12-13-14(7)9-4-2-8(11)3-5-9/h2-5,15H,6H2,1H3
InChIKeyJMYKCTGZPVOOLN-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.72
Rot. Bonds2

About [1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol

[1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol (PubChem CID 53364717) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol
PubChem CID53364717
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name[1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O/c1-7-10(6-15)12-13-14(7)9-4-2-8(11)3-5-9/h2-5,15H,6H2,1H3
InChIKeyJMYKCTGZPVOOLN-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol?
The IUPAC name of [1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol (CID 53364717) is [1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol is Cc1c(CO)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol?
The InChIKey is JMYKCTGZPVOOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7-10(6-15)12-13-14(7)9-4-2-8(11)3-5-9/h2-5,15H,6H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol?
[1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol has a molecular weight of 223.66 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 53364717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).