[4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol

C16H15N3O — CID 56720485

IUPAC[4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol
SMILESCc1cccc(-n2cnnc2C(O)c2ccccc2)c1
InChIInChI=1S/C16H15N3O/c1-12-6-5-9-14(10-12)19-11-17-18-16(19)15(20)13-7-3-2-4-8-13/h2-11,15,20H,1H3
InChIKeyYGXKTXNCWUQJPG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.66
Rot. Bonds3

About [4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol

[4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol (PubChem CID 56720485) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is [4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol
PubChem CID56720485
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name[4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol
SMILESCc1cccc(-n2cnnc2C(O)c2ccccc2)c1
InChIInChI=1S/C16H15N3O/c1-12-6-5-9-14(10-12)19-11-17-18-16(19)15(20)13-7-3-2-4-8-13/h2-11,15,20H,1H3
InChIKeyYGXKTXNCWUQJPG-UHFFFAOYSA-N
XLogP2.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol
CID 95215775
(2,5-dimethylpyrazol-3-yl)-phenylmethanol
CID 105076375
3-heptan-4-yl-4-phenyl-1,2,4-triazole
CID 82995820
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
3-[(2S)-1-benzylazetidin-2-yl]-4-(3-methylphenyl)-1,2,4-triazole
CID 95213518
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
3-[3-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]propanoic acid
CID 82514139
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 55597473
1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62709915
ethyl 3-methyl-2-(4-phenyl-1,2,4-triazol-3-yl)butanoate
CID 79472323
(1R)-1-(4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 94554781
4-(3-chlorophenyl)-3-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazole
CID 25357022

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol?
The IUPAC name of [4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol (CID 56720485) is [4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol.
What is the SMILES notation for [4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol?
The canonical SMILES for [4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol is Cc1cccc(-n2cnnc2C(O)c2ccccc2)c1.
What is the InChIKey of [4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol?
The InChIKey is YGXKTXNCWUQJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-6-5-9-14(10-12)19-11-17-18-16(19)15(20)13-7-3-2-4-8-13/h2-11,15,20H,1H3.
What are the key properties of [4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol?
[4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol has a molecular weight of 265.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol is sourced from PubChem (CID 56720485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).