(5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol

C11H13N3O — CID 62082072

IUPAC(5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol
SMILESCCc1nc(C(O)c2ccccc2)n[nH]1
InChIInChI=1S/C11H13N3O/c1-2-9-12-11(14-13-9)10(15)8-6-4-3-5-7-8/h3-7,10,15H,2H2,1H3,(H,12,13,14)
InChIKeyCGSIBLSWHVCEML-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.45
Rot. Bonds3

About (5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol

(5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol (PubChem CID 62082072) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol.

Molecular Properties

Compound Name(5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol
PubChem CID62082072
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol
SMILESCCc1nc(C(O)c2ccccc2)n[nH]1
InChIInChI=1S/C11H13N3O/c1-2-9-12-11(14-13-9)10(15)8-6-4-3-5-7-8/h3-7,10,15H,2H2,1H3,(H,12,13,14)
InChIKeyCGSIBLSWHVCEML-UHFFFAOYSA-N
XLogP1.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol
CID 95122673
2-[3-[hydroxy(phenyl)methyl]-1H-1,2,4-triazol-5-yl]ethyl formate
CID 175359865
2-phenyl-2-(5-propyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 62882962
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 51318159
[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride
CID 91640314
(1R)-1-(5-butyl-1H-1,2,4-triazol-3-yl)-2-(2-methylphenoxy)ethanol
CID 164630500
5-(phenylsulfanylmethyl)-3-propan-2-yl-1H-1,2,4-triazole
CID 79217465
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 7028863
N-benzhydryl-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 30407365
4-(2-ethylphenyl)-3-[(S)-hydroxy(phenyl)methyl]-1H-1,2,4-triazol-5-one
CID 95144372
(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol
CID 40540193
(1-methyl-1,2,4-triazol-3-yl)-phenylmethanol
CID 59330649

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol?
The IUPAC name of (5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol (CID 62082072) is (5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol.
What is the SMILES notation for (5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol?
The canonical SMILES for (5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol is CCc1nc(C(O)c2ccccc2)n[nH]1.
What is the InChIKey of (5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol?
The InChIKey is CGSIBLSWHVCEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-9-12-11(14-13-9)10(15)8-6-4-3-5-7-8/h3-7,10,15H,2H2,1H3,(H,12,13,14).
What are the key properties of (5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol?
(5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol has a molecular weight of 203.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-1,2,4-triazol-3-yl)-phenylmethanol is sourced from PubChem (CID 62082072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).