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

C11H15N5O2 — CID 91919227

IUPACN-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCCCNC(=O)c1nnn2cc(C)[nH]c(=O)c12
InChIInChI=1S/C11H15N5O2/c1-3-4-5-12-10(17)8-9-11(18)13-7(2)6-16(9)15-14-8/h6H,3-5H2,1-2H3,(H,12,17)(H,13,18)
InChIKeyVSZYBRXPYZFVAU-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.26
Rot. Bonds4

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

N-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 91919227) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID91919227
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCCCNC(=O)c1nnn2cc(C)[nH]c(=O)c12
InChIInChI=1S/C11H15N5O2/c1-3-4-5-12-10(17)8-9-11(18)13-7(2)6-16(9)15-14-8/h6H,3-5H2,1-2H3,(H,12,17)(H,13,18)
InChIKeyVSZYBRXPYZFVAU-UHFFFAOYSA-N
XLogP0.26
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 91919227) is N-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide is CCCCNC(=O)c1nnn2cc(C)[nH]c(=O)c12.
What is the InChIKey of N-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is VSZYBRXPYZFVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-4-5-12-10(17)8-9-11(18)13-7(2)6-16(9)15-14-8/h6H,3-5H2,1-2H3,(H,12,17)(H,13,18).
What are the key properties of N-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
N-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91919227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).