[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol

C17H16ClN3O — CID 94943378

IUPAC[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
SMILESCc1cccc(-c2c(CO)nnn2Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClN3O/c1-12-4-2-6-14(8-12)17-16(11-22)19-20-21(17)10-13-5-3-7-15(18)9-13/h2-9,22H,10-11H2,1H3
InChIKeyLYZSGCLARFFUEW-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.45
Rot. Bonds4

About [1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol

[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol (PubChem CID 94943378) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
PubChem CID94943378
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
SMILESCc1cccc(-c2c(CO)nnn2Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClN3O/c1-12-4-2-6-14(8-12)17-16(11-22)19-20-21(17)10-13-5-3-7-15(18)9-13/h2-9,22H,10-11H2,1H3
InChIKeyLYZSGCLARFFUEW-UHFFFAOYSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazole-4-carboxylic acid
CID 56769199
[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
CID 94943384
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
[5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210758
[1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol
CID 82203633
[1-heptyl-5-(3-methylphenyl)triazol-4-yl]methanol
CID 82208036
3-[5-(3-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210298
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82203247
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
CID 82210098
1-[(4-bromophenyl)methyl]-5-[3-[(4-bromophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]-4-(3-methylphenyl)triazole
CID 135059141

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol (CID 94943378) is [1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol is Cc1cccc(-c2c(CO)nnn2Cc2cccc(Cl)c2)c1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol?
The InChIKey is LYZSGCLARFFUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-12-4-2-6-14(8-12)17-16(11-22)19-20-21(17)10-13-5-3-7-15(18)9-13/h2-9,22H,10-11H2,1H3.
What are the key properties of [1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol?
[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol has a molecular weight of 313.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 94943378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).