5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide

C12H14N4O3 — CID 169402902

IUPAC5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCc1cc(OC)c(O)c(-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C12H14N4O3/c1-3-6-4-7(11(17)8(5-6)19-2)9-10(12(13)18)15-16-14-9/h4-5,17H,3H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeySUIAMVIMLNOONN-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.85
Rot. Bonds4

About 5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide

5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402902) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402902
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCc1cc(OC)c(O)c(-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C12H14N4O3/c1-3-6-4-7(11(17)8(5-6)19-2)9-10(12(13)18)15-16-14-9/h4-5,17H,3H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeySUIAMVIMLNOONN-UHFFFAOYSA-N
XLogP0.85
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404852
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402827
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404776
5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402966
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169403137
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402286

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide (CID 169402902) is 5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide is CCc1cc(OC)c(O)c(-c2n[nH]nc2C(N)=O)c1.
What is the InChIKey of 5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is SUIAMVIMLNOONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-6-4-7(11(17)8(5-6)19-2)9-10(12(13)18)15-16-14-9/h4-5,17H,3H2,1-2H3,(H2,13,18)(H,14,15,16).
What are the key properties of 5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide?
5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).