[1-(3-chlorophenyl)triazol-4-yl]methanol

C9H8ClN3O — CID 56683787

IUPAC[1-(3-chlorophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2cccc(Cl)c2)nn1
InChIInChI=1S/C9H8ClN3O/c10-7-2-1-3-9(4-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2
InChIKeyASILNWLZYIGPEA-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.41
Rot. Bonds2

About [1-(3-chlorophenyl)triazol-4-yl]methanol

[1-(3-chlorophenyl)triazol-4-yl]methanol (PubChem CID 56683787) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is [1-(3-chlorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-chlorophenyl)triazol-4-yl]methanol
PubChem CID56683787
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name[1-(3-chlorophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2cccc(Cl)c2)nn1
InChIInChI=1S/C9H8ClN3O/c10-7-2-1-3-9(4-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2
InChIKeyASILNWLZYIGPEA-UHFFFAOYSA-N
XLogP1.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-chlorophenyl)triazol-4-yl]methanol (CID 56683787) is [1-(3-chlorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-chlorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-chlorophenyl)triazol-4-yl]methanol is OCc1cn(-c2cccc(Cl)c2)nn1.
What is the InChIKey of [1-(3-chlorophenyl)triazol-4-yl]methanol?
The InChIKey is ASILNWLZYIGPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-7-2-1-3-9(4-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2.
What are the key properties of [1-(3-chlorophenyl)triazol-4-yl]methanol?
[1-(3-chlorophenyl)triazol-4-yl]methanol has a molecular weight of 209.64 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 56683787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).