3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C16H22N6O2 — CID 154866107

IUPAC3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCC(C)(C)c1nnc2n1CCN(C(=O)NCc1ccc[nH]c1=O)C2
InChIInChI=1S/C16H22N6O2/c1-16(2,3)14-20-19-12-10-21(7-8-22(12)14)15(24)18-9-11-5-4-6-17-13(11)23/h4-6H,7-10H2,1-3H3,(H,17,23)(H,18,24)
InChIKeyDGVVZBMNJBWURH-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.99
Rot. Bonds2

About 3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 154866107) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID154866107
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCC(C)(C)c1nnc2n1CCN(C(=O)NCc1ccc[nH]c1=O)C2
InChIInChI=1S/C16H22N6O2/c1-16(2,3)14-20-19-12-10-21(7-8-22(12)14)15(24)18-9-11-5-4-6-17-13(11)23/h4-6H,7-10H2,1-3H3,(H,17,23)(H,18,24)
InChIKeyDGVVZBMNJBWURH-UHFFFAOYSA-N
XLogP0.99
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-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 3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of 3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 154866107) is 3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is CC(C)(C)c1nnc2n1CCN(C(=O)NCc1ccc[nH]c1=O)C2.
What is the InChIKey of 3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is DGVVZBMNJBWURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-16(2,3)14-20-19-12-10-21(7-8-22(12)14)15(24)18-9-11-5-4-6-17-13(11)23/h4-6H,7-10H2,1-3H3,(H,17,23)(H,18,24).
What are the key properties of 3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 154866107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).