6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide

C16H17N5O2 — CID 91908409

IUPAC6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cn2nnc(C(=O)NCC(C)c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C16H17N5O2/c1-10(12-6-4-3-5-7-12)8-17-15(22)13-14-16(23)18-11(2)9-21(14)20-19-13/h3-7,9-10H,8H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyGBJRNSDRUZERIX-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.26
Rot. Bonds4

About 6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide

6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 91908409) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID91908409
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cn2nnc(C(=O)NCC(C)c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C16H17N5O2/c1-10(12-6-4-3-5-7-12)8-17-15(22)13-14-16(23)18-11(2)9-21(14)20-19-13/h3-7,9-10H,8H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyGBJRNSDRUZERIX-UHFFFAOYSA-N
XLogP1.26
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 91908409) is 6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide is Cc1cn2nnc(C(=O)NCC(C)c3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is GBJRNSDRUZERIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10(12-6-4-3-5-7-12)8-17-15(22)13-14-16(23)18-11(2)9-21(14)20-19-13/h3-7,9-10H,8H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of 6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91908409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).