4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide

C18H20N6O2 — CID 91891357

IUPAC4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCCN1CCCC1)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C18H20N6O2/c25-17(19-8-11-23-9-4-5-10-23)15-16-18(26)20-14(12-24(16)22-21-15)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,19,25)(H,20,26)
InChIKeyRAMAXZSOORYOLL-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.91
Rot. Bonds5

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

4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 91891357) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID91891357
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCCN1CCCC1)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C18H20N6O2/c25-17(19-8-11-23-9-4-5-10-23)15-16-18(26)20-14(12-24(16)22-21-15)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,19,25)(H,20,26)
InChIKeyRAMAXZSOORYOLL-UHFFFAOYSA-N
XLogP0.91
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 91891357) is 4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide is O=C(NCCN1CCCC1)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12.
What is the InChIKey of 4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is RAMAXZSOORYOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-17(19-8-11-23-9-4-5-10-23)15-16-18(26)20-14(12-24(16)22-21-15)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,19,25)(H,20,26).
What are the key properties of 4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-phenyl-N-(2-pyrrolidin-1-ylethyl)-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91891357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).