(1-phenyl-1,2,4-triazol-3-yl)methanol

C9H9N3O — CID 15707889

IUPAC(1-phenyl-1,2,4-triazol-3-yl)methanol
SMILESOCc1ncn(-c2ccccc2)n1
InChIInChI=1S/C9H9N3O/c13-6-9-10-7-12(11-9)8-4-2-1-3-5-8/h1-5,7,13H,6H2
InChIKeyXWBLAPAPAJWPEZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.76
Rot. Bonds2

About (1-phenyl-1,2,4-triazol-3-yl)methanol

(1-phenyl-1,2,4-triazol-3-yl)methanol (PubChem CID 15707889) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (1-phenyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(1-phenyl-1,2,4-triazol-3-yl)methanol
PubChem CID15707889
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(1-phenyl-1,2,4-triazol-3-yl)methanol
SMILESOCc1ncn(-c2ccccc2)n1
InChIInChI=1S/C9H9N3O/c13-6-9-10-7-12(11-9)8-4-2-1-3-5-8/h1-5,7,13H,6H2
InChIKeyXWBLAPAPAJWPEZ-UHFFFAOYSA-N
XLogP0.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-phenyl-4H-1,2,4-triazole
CID 12216908
ethyl 1-phenyl-1H-1,2,4-triazole-3-carboxylate
CID 6621748
1-Phenyl-1H-1,2,4-triazole-3-carboxylic acid
CID 12316056
2-(5-Methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
CID 659949
(4-phenyl-4H-1,2,4-triazol-3-yl)methanol
CID 15707894
4-(4-Fluorophenyl)-3-methyl-1,2,4-triazole
CID 137653706
5-(chloromethyl)-1-phenyl-1H-1,2,4-triazole
CID 563232
4-(5-methyl-1H-1,2,4-triazol-1-yl)aniline
CID 12877068
4-phenyl-4H-1,2,4-triazole-3-carbaldehyde
CID 15707896
3-(chloromethyl)-1-phenyl-1H-1,2,4-triazole
CID 15707897
3-(1-Phenyl-1,2,4-triazol-3-yl)propanoic acid
CID 12461542
4-[3-(4-phenyl-4H-1,2,4-triazol-3-yl)propyl]morpholine
CID 56714438

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (1-phenyl-1,2,4-triazol-3-yl)methanol (CID 15707889) is (1-phenyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (1-phenyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (1-phenyl-1,2,4-triazol-3-yl)methanol is OCc1ncn(-c2ccccc2)n1.
What is the InChIKey of (1-phenyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is XWBLAPAPAJWPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-6-9-10-7-12(11-9)8-4-2-1-3-5-8/h1-5,7,13H,6H2.
What are the key properties of (1-phenyl-1,2,4-triazol-3-yl)methanol?
(1-phenyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 175.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 15707889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).