1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

C10H9FN4O — CID 7245409

IUPAC1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4O/c1-6-9(10(12)16)13-14-15(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,16)
InChIKeyWCALJWRVPCACEQ-UHFFFAOYSA-N
MW220.21 g/mol
LogP0.81
Rot. Bonds2

About 1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 7245409) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID7245409
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4O/c1-6-9(10(12)16)13-14-15(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,16)
InChIKeyWCALJWRVPCACEQ-UHFFFAOYSA-N
XLogP0.81
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 7245409) is 1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is Cc1c(C(N)=O)nnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is WCALJWRVPCACEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c1-6-9(10(12)16)13-14-15(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,16).
What are the key properties of 1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 220.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 7245409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).