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

C11H11FN4O — CID 19904234

IUPAC5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1c(Cc2ccccc2F)nnc1C(N)=O
InChIInChI=1S/C11H11FN4O/c1-16-9(14-15-11(16)10(13)17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H2,13,17)
InChIKeyQQDVSQXWGOGZHU-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.64
Rot. Bonds3

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

5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 19904234) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
PubChem CID19904234
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1c(Cc2ccccc2F)nnc1C(N)=O
InChIInChI=1S/C11H11FN4O/c1-16-9(14-15-11(16)10(13)17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H2,13,17)
InChIKeyQQDVSQXWGOGZHU-UHFFFAOYSA-N
XLogP0.64
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide (CID 19904234) is 5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide is Cn1c(Cc2ccccc2F)nnc1C(N)=O.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is QQDVSQXWGOGZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-16-9(14-15-11(16)10(13)17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H2,13,17).
What are the key properties of 5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide?
5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 19904234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).