5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide

C12H12F2N4O2 — CID 169404803

IUPAC5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide
SMILESCCOc1cc(-c2n[nH]nc2C(N)=O)c(F)c(F)c1C
InChIInChI=1S/C12H12F2N4O2/c1-3-20-7-4-6(9(14)8(13)5(7)2)10-11(12(15)19)17-18-16-10/h4H,3H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyPLWXPSSLLGLPOX-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.56
Rot. Bonds4

About 5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide

5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide (PubChem CID 169404803) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide
PubChem CID169404803
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide
SMILESCCOc1cc(-c2n[nH]nc2C(N)=O)c(F)c(F)c1C
InChIInChI=1S/C12H12F2N4O2/c1-3-20-7-4-6(9(14)8(13)5(7)2)10-11(12(15)19)17-18-16-10/h4H,3H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyPLWXPSSLLGLPOX-UHFFFAOYSA-N
XLogP1.56
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169403137
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
ethyl 5-(2-bromo-4,5-diethoxyphenyl)-2H-triazole-4-carboxylate
CID 169400645
ethyl 5-(2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxylate
CID 169401605
5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404852
5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide
CID 169402590
ethyl 5-(2,3-dibromo-4,5-diethoxyphenyl)-2H-triazole-4-carboxylate
CID 169401059
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046
5-(3-ethoxy-5-iodo-4-prop-2-enoxyphenyl)-2H-triazole-4-carboxamide
CID 169404077
2-[5-chloro-2-ethoxy-4-(5-ethoxycarbonyl-2H-triazol-4-yl)phenoxy]acetic acid
CID 169401166
2-[4-(5-carbamoyl-2H-triazol-4-yl)-2-chloro-6-ethoxyphenoxy]propanoic acid
CID 169403495

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide (CID 169404803) is 5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide is CCOc1cc(-c2n[nH]nc2C(N)=O)c(F)c(F)c1C.
What is the InChIKey of 5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is PLWXPSSLLGLPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c1-3-20-7-4-6(9(14)8(13)5(7)2)10-11(12(15)19)17-18-16-10/h4H,3H2,1-2H3,(H2,15,19)(H,16,17,18).
What are the key properties of 5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide?
5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 282.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).