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

C13H17N3O — CID 113301649

IUPAC[4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1Cc1ccccc1C
InChIInChI=1S/C13H17N3O/c1-3-16-12(14-15-13(16)9-17)8-11-7-5-4-6-10(11)2/h4-7,17H,3,8-9H2,1-2H3
InChIKeyWWBSXPZDNQARKR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.69
Rot. Bonds4

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

[4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 113301649) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID113301649
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1Cc1ccccc1C
InChIInChI=1S/C13H17N3O/c1-3-16-12(14-15-13(16)9-17)8-11-7-5-4-6-10(11)2/h4-7,17H,3,8-9H2,1-2H3
InChIKeyWWBSXPZDNQARKR-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol (CID 113301649) is [4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1Cc1ccccc1C.
What is the InChIKey of [4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is WWBSXPZDNQARKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16-12(14-15-13(16)9-17)8-11-7-5-4-6-10(11)2/h4-7,17H,3,8-9H2,1-2H3.
What are the key properties of [4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol?
[4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 231.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).