6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide

C20H16FN5O2 — CID 91908417

IUPAC6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2nnn3cc(-c4ccc(F)cc4)[nH]c(=O)c23)cc1
InChIInChI=1S/C20H16FN5O2/c1-12-2-4-13(5-3-12)10-22-19(27)17-18-20(28)23-16(11-26(18)25-24-17)14-6-8-15(21)9-7-14/h2-9,11H,10H2,1H3,(H,22,27)(H,23,28)
InChIKeyBQACRJZVPQLAGF-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.46
Rot. Bonds4

About 6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide

6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 91908417) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID91908417
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2nnn3cc(-c4ccc(F)cc4)[nH]c(=O)c23)cc1
InChIInChI=1S/C20H16FN5O2/c1-12-2-4-13(5-3-12)10-22-19(27)17-18-20(28)23-16(11-26(18)25-24-17)14-6-8-15(21)9-7-14/h2-9,11H,10H2,1H3,(H,22,27)(H,23,28)
InChIKeyBQACRJZVPQLAGF-UHFFFAOYSA-N
XLogP2.46
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 91908417) is 6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide is Cc1ccc(CNC(=O)c2nnn3cc(-c4ccc(F)cc4)[nH]c(=O)c23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is BQACRJZVPQLAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-12-2-4-13(5-3-12)10-22-19(27)17-18-20(28)23-16(11-26(18)25-24-17)14-6-8-15(21)9-7-14/h2-9,11H,10H2,1H3,(H,22,27)(H,23,28).
What are the key properties of 6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91908417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).