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

C12H12F2N4O2 — CID 169402590

IUPAC5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCCOc1c(F)cc(-c2n[nH]nc2C(N)=O)cc1F
InChIInChI=1S/C12H12F2N4O2/c1-2-3-20-11-7(13)4-6(5-8(11)14)9-10(12(15)19)17-18-16-9/h4-5H,2-3H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyCDNCTGAAYXXZEO-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.64
Rot. Bonds5

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

5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402590) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402590
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide
SMILESCCCOc1c(F)cc(-c2n[nH]nc2C(N)=O)cc1F
InChIInChI=1S/C12H12F2N4O2/c1-2-3-20-11-7(13)4-6(5-8(11)14)9-10(12(15)19)17-18-16-9/h4-5H,2-3H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyCDNCTGAAYXXZEO-UHFFFAOYSA-N
XLogP1.64
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-butoxy-3-fluorophenyl)-2H-triazole-4-carboxamide
CID 169402524
5-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-2H-triazole-4-carboxamide
CID 169403417
5-(3-methyl-4-propoxyphenyl)-2H-triazole-4-carboxamide
CID 169402490
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046
5-[3-(diethylaminomethyl)-4-propoxyphenyl]-2H-triazole-4-carboxamide
CID 169403131
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
5-(4-octoxyphenyl)-2H-triazole-4-carboxamide
CID 169402171
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811
5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169404803
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169403623

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide (CID 169402590) is 5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide is CCCOc1c(F)cc(-c2n[nH]nc2C(N)=O)cc1F.
What is the InChIKey of 5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is CDNCTGAAYXXZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c1-2-3-20-11-7(13)4-6(5-8(11)14)9-10(12(15)19)17-18-16-9/h4-5H,2-3H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide?
5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 282.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).