[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol

C11H12ClN3O — CID 82203375

IUPAC[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1Cc1ccccc1Cl
InChIInChI=1S/C11H12ClN3O/c1-8-11(7-16)13-14-15(8)6-9-4-2-3-5-10(9)12/h2-5,16H,6-7H2,1H3
InChIKeyLHWYDWLUOUWJIK-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.78
Rot. Bonds3

About [1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol

[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol (PubChem CID 82203375) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
PubChem CID82203375
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1Cc1ccccc1Cl
InChIInChI=1S/C11H12ClN3O/c1-8-11(7-16)13-14-15(8)6-9-4-2-3-5-10(9)12/h2-5,16H,6-7H2,1H3
InChIKeyLHWYDWLUOUWJIK-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol
CID 82203421
[5-methyl-1-[(2,3,6-trichlorophenyl)methyl]triazol-4-yl]methanol
CID 94943704
1-[(2-chlorophenyl)methyl]-5-methyltriazole-4-carboxylic acid;hydrochloride
CID 70416921
1-[(2-chlorophenyl)methyl]-5-methyltriazole-4-carbaldehyde
CID 82203377
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl] hydrogen carbonate
CID 70516745
[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol
CID 16769903
(1-ethyl-5-methyltriazol-4-yl)methanol
CID 82207210
1-[(2-chlorophenyl)methyl]-5-methoxytriazole-4-carboxylic acid;hydrochloride
CID 70416302
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
CID 79542823

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol (CID 82203375) is [1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol is Cc1c(CO)nnn1Cc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol?
The InChIKey is LHWYDWLUOUWJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8-11(7-16)13-14-15(8)6-9-4-2-3-5-10(9)12/h2-5,16H,6-7H2,1H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol?
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol has a molecular weight of 237.69 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 82203375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).