[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol

C14H16ClN3O — CID 82195237

IUPAC[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol
SMILESCc1cc(Cl)ccc1-n1nnc(CO)c1C1CCC1
InChIInChI=1S/C14H16ClN3O/c1-9-7-11(15)5-6-13(9)18-14(10-3-2-4-10)12(8-19)16-17-18/h5-7,10,19H,2-4,8H2,1H3
InChIKeyLGRIPUQDSFTFGV-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.99
Rot. Bonds3

About [1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol

[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol (PubChem CID 82195237) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is [1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol
PubChem CID82195237
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol
SMILESCc1cc(Cl)ccc1-n1nnc(CO)c1C1CCC1
InChIInChI=1S/C14H16ClN3O/c1-9-7-11(15)5-6-13(9)18-14(10-3-2-4-10)12(8-19)16-17-18/h5-7,10,19H,2-4,8H2,1H3
InChIKeyLGRIPUQDSFTFGV-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanamine
CID 82195258
1-(4-chloro-2-methylphenyl)-5-cyclohexyltriazole-4-carbaldehyde
CID 82195213
1-(5-chloro-2-methylphenyl)-5-cyclobutyltriazole-4-carbaldehyde
CID 82196337
[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94935792
[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
CID 82203350
[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]methanamine
CID 82195240
5-[5-cyclobutyl-4-(hydroxymethyl)triazol-1-yl]benzene-1,3-dicarboxylic acid
CID 94935925
[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 82196201
[5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol
CID 94939958
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol
CID 82196326
[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
CID 94937113
[1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82196332

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol?
The IUPAC name of [1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol (CID 82195237) is [1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol is Cc1cc(Cl)ccc1-n1nnc(CO)c1C1CCC1.
What is the InChIKey of [1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol?
The InChIKey is LGRIPUQDSFTFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-7-11(15)5-6-13(9)18-14(10-3-2-4-10)12(8-19)16-17-18/h5-7,10,19H,2-4,8H2,1H3.
What are the key properties of [1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol?
[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol has a molecular weight of 277.75 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol is sourced from PubChem (CID 82195237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).