[1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol

C14H18ClN3O — CID 82203633

IUPAC[1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol
SMILESCC(C)Cc1c(CO)nnn1Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-10(2)6-14-13(9-19)16-17-18(14)8-11-4-3-5-12(15)7-11/h3-5,7,10,19H,6,8-9H2,1-2H3
InChIKeyLTMVNNPAQLMKKI-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.67
Rot. Bonds5

About [1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol

[1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol (PubChem CID 82203633) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol
PubChem CID82203633
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name[1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol
SMILESCC(C)Cc1c(CO)nnn1Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-10(2)6-14-13(9-19)16-17-18(14)8-11-4-3-5-12(15)7-11/h3-5,7,10,19H,6,8-9H2,1-2H3
InChIKeyLTMVNNPAQLMKKI-UHFFFAOYSA-N
XLogP2.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
[1-[(3,4-dichlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 94943700
[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
CID 94943384
[5-benzyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943407
[1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol
CID 82204190
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
CID 82203683
[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697489
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
CID 79542116
[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
CID 55172991
1-[(3,4-dichlorophenyl)methyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645581
1-[(3-chlorophenyl)methyl]-5-propyltriazole-4-carbaldehyde
CID 82203617
methyl 1-[(3-chlorophenyl)methyl]-5-methyltriazole-4-carboxylate
CID 59583410

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol (CID 82203633) is [1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol is CC(C)Cc1c(CO)nnn1Cc1cccc(Cl)c1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol?
The InChIKey is LTMVNNPAQLMKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10(2)6-14-13(9-19)16-17-18(14)8-11-4-3-5-12(15)7-11/h3-5,7,10,19H,6,8-9H2,1-2H3.
What are the key properties of [1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol?
[1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol has a molecular weight of 279.77 g/mol, XLogP of 2.67, 5 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-(2-methylpropyl)triazol-4-yl]methanol is sourced from PubChem (CID 82203633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).