5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide

C12H14N4O3 — CID 169402032

IUPAC5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCOc1cc(-c2n[nH]nc2C(N)=O)ccc1OC
InChIInChI=1S/C12H14N4O3/c1-3-19-9-6-7(4-5-8(9)18-2)10-11(12(13)17)15-16-14-10/h4-6H,3H2,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyJLFXCVWHSQEIRN-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.98
Rot. Bonds5

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

5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402032) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402032
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCOc1cc(-c2n[nH]nc2C(N)=O)ccc1OC
InChIInChI=1S/C12H14N4O3/c1-3-19-9-6-7(4-5-8(9)18-2)10-11(12(13)17)15-16-14-10/h4-6H,3H2,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyJLFXCVWHSQEIRN-UHFFFAOYSA-N
XLogP0.98
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402338
ethyl 4-[5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenoxy]butanoate
CID 169403958
5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403821
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402963
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
ethyl 5-[3-(3-chloropropoxy)-4-methoxyphenyl]-2H-triazole-4-carboxylate
CID 169401727
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402966
ethyl 5-(3-ethoxy-4-propoxyphenyl)-2H-triazole-4-carboxylate
CID 169399819

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide (CID 169402032) is 5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide is CCOc1cc(-c2n[nH]nc2C(N)=O)ccc1OC.
What is the InChIKey of 5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is JLFXCVWHSQEIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-19-9-6-7(4-5-8(9)18-2)10-11(12(13)17)15-16-14-10/h4-6H,3H2,1-2H3,(H2,13,17)(H,14,15,16).
What are the key properties of 5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide?
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).