[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol

C12H14ClN3O — CID 82891450

IUPAC[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1-c1cc(Cl)ccc1C
InChIInChI=1S/C12H14ClN3O/c1-3-16-11(7-17)14-15-12(16)10-6-9(13)5-4-8(10)2/h4-6,17H,3,7H2,1-2H3
InChIKeyPJLQAKUXMCTWKX-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.42
Rot. Bonds3

About [5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol

[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol (PubChem CID 82891450) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is [5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
PubChem CID82891450
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1-c1cc(Cl)ccc1C
InChIInChI=1S/C12H14ClN3O/c1-3-16-11(7-17)14-15-12(16)10-6-9(13)5-4-8(10)2/h4-6,17H,3,7H2,1-2H3
InChIKeyPJLQAKUXMCTWKX-UHFFFAOYSA-N
XLogP2.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(5-chloro-2-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 82891451
[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593457
[5-(5-chloro-2-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 82890463
[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301734
[5-(4-chloro-2,5-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 82774698
[5-(5-fluoro-2-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301703
3-(chloromethyl)-5-(5-chloro-2-methylphenyl)-4-methyl-1,2,4-triazole
CID 82890305
[5-(2,5-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593466
3-(chloromethyl)-4-ethyl-5-(5-fluoro-2-methylphenyl)-1,2,4-triazole
CID 115398129
[5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115397101
[5-(5-bromo-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395966
[4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 113301649

Frequently Asked Questions

What is the IUPAC name of [5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol (CID 82891450) is [5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1-c1cc(Cl)ccc1C.
What is the InChIKey of [5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is PJLQAKUXMCTWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-16-11(7-17)14-15-12(16)10-6-9(13)5-4-8(10)2/h4-6,17H,3,7H2,1-2H3.
What are the key properties of [5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
[5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 251.72 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloro-2-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 82891450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).