N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide

C18H17FN4O — CID 42692606

IUPACN-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NCc2ccc(F)cc2)nc1C
InChIInChI=1S/C18H17FN4O/c1-12-5-3-4-6-16(12)23-13(2)21-17(22-23)18(24)20-11-14-7-9-15(19)10-8-14/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyILXMDFJGVQUQNP-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.95
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692606) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42692606
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NCc2ccc(F)cc2)nc1C
InChIInChI=1S/C18H17FN4O/c1-12-5-3-4-6-16(12)23-13(2)21-17(22-23)18(24)20-11-14-7-9-15(19)10-8-14/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyILXMDFJGVQUQNP-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 42692606) is N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)NCc2ccc(F)cc2)nc1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is ILXMDFJGVQUQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12-5-3-4-6-16(12)23-13(2)21-17(22-23)18(24)20-11-14-7-9-15(19)10-8-14/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).