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

C15H15N5O2 — CID 91891381

IUPAC6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2nnn3cc(C)[nH]c(=O)c23)c1
InChIInChI=1S/C15H15N5O2/c1-9-4-3-5-11(6-9)7-16-14(21)12-13-15(22)17-10(2)8-20(13)19-18-12/h3-6,8H,7H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyPMEZWOPNYIUFQV-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.96
Rot. Bonds3

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

6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 91891381) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID91891381
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2nnn3cc(C)[nH]c(=O)c23)c1
InChIInChI=1S/C15H15N5O2/c1-9-4-3-5-11(6-9)7-16-14(21)12-13-15(22)17-10(2)8-20(13)19-18-12/h3-6,8H,7H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyPMEZWOPNYIUFQV-UHFFFAOYSA-N
XLogP0.96
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 91891381) is 6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide is Cc1cccc(CNC(=O)c2nnn3cc(C)[nH]c(=O)c23)c1.
What is the InChIKey of 6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is PMEZWOPNYIUFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-4-3-5-11(6-9)7-16-14(21)12-13-15(22)17-10(2)8-20(13)19-18-12/h3-6,8H,7H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of 6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91891381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).