3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one

C15H17N5O2 — CID 95833584

IUPAC3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCn3c(nnc3C3CC3)C2)c(=O)[nH]1
InChIInChI=1S/C15H17N5O2/c1-9-2-5-11(14(21)16-9)15(22)19-6-7-20-12(8-19)17-18-13(20)10-3-4-10/h2,5,10H,3-4,6-8H2,1H3,(H,16,21)
InChIKeyQQPQBGPCZCPXOE-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.81
Rot. Bonds2

About 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one

3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one (PubChem CID 95833584) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one
PubChem CID95833584
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCn3c(nnc3C3CC3)C2)c(=O)[nH]1
InChIInChI=1S/C15H17N5O2/c1-9-2-5-11(14(21)16-9)15(22)19-6-7-20-12(8-19)17-18-13(20)10-3-4-10/h2,5,10H,3-4,6-8H2,1H3,(H,16,21)
InChIKeyQQPQBGPCZCPXOE-UHFFFAOYSA-N
XLogP0.81
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 72050252
5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86801947
1-methyl-2-oxo-N-((7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)-1,2-dihydropyridine-3-carboxamide
CID 121022024
1-methyl-2-oxo-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 129357846
1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 129357847
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide
CID 136554339
3-[(4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)carbonyl]pyridin-2-ol
CID 70780935
6-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
CID 71550466
6-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
CID 71550467
6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
CID 89488479
ethene;6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
CID 145556960
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 53547669

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one (CID 95833584) is 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCn3c(nnc3C3CC3)C2)c(=O)[nH]1.
What is the InChIKey of 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is QQPQBGPCZCPXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-2-5-11(14(21)16-9)15(22)19-6-7-20-12(8-19)17-18-13(20)10-3-4-10/h2,5,10H,3-4,6-8H2,1H3,(H,16,21).
What are the key properties of 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one?
3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 299.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 95833584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).