1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide

C11H11FN4O — CID 15988407

IUPAC1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1cc(F)ccc1-n1nnc(C(N)=O)c1C
InChIInChI=1S/C11H11FN4O/c1-6-5-8(12)3-4-9(6)16-7(2)10(11(13)17)14-15-16/h3-5H,1-2H3,(H2,13,17)
InChIKeyMBVAKPUETNJPBW-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.12
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide

1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 15988407) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID15988407
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1cc(F)ccc1-n1nnc(C(N)=O)c1C
InChIInChI=1S/C11H11FN4O/c1-6-5-8(12)3-4-9(6)16-7(2)10(11(13)17)14-15-16/h3-5H,1-2H3,(H2,13,17)
InChIKeyMBVAKPUETNJPBW-UHFFFAOYSA-N
XLogP1.12
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide (CID 15988407) is 1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide is Cc1cc(F)ccc1-n1nnc(C(N)=O)c1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is MBVAKPUETNJPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-6-5-8(12)3-4-9(6)16-7(2)10(11(13)17)14-15-16/h3-5H,1-2H3,(H2,13,17).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide?
1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 15988407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).