7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C16H15N5O2 — CID 136564870

IUPAC7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1ccc(C(=O)N2CCn3c(n[nH]c3=O)C2)c2ncccc12
InChIInChI=1S/C16H15N5O2/c1-10-4-5-12(14-11(10)3-2-6-17-14)15(22)20-7-8-21-13(9-20)18-19-16(21)23/h2-6H,7-9H2,1H3,(H,19,23)
InChIKeyCPJLIUQRWIQFFR-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.08
Rot. Bonds1

About 7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 136564870) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID136564870
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1ccc(C(=O)N2CCn3c(n[nH]c3=O)C2)c2ncccc12
InChIInChI=1S/C16H15N5O2/c1-10-4-5-12(14-11(10)3-2-6-17-14)15(22)20-7-8-21-13(9-20)18-19-16(21)23/h2-6H,7-9H2,1H3,(H,19,23)
InChIKeyCPJLIUQRWIQFFR-UHFFFAOYSA-N
XLogP1.08
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

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Related Compounds

7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 127994318
7-(2-methylpropanoyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 172548506
methyl 5-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)furan-2-carboxylate
CID 154840948
[3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone
CID 136565491
[3-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-methylquinolin-8-yl)methanone
CID 136565552
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
2-hydroxy-1-[3-methyl-4-(5-methylquinoline-8-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 166368655
(5-methylquinolin-8-yl)boronic acid
CID 59606741
4-methylquinoline-8-carboxylic acid
CID 12597844
(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 66599614
2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone
CID 137346972
1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
CID 29149627

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 136564870) is 7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1ccc(C(=O)N2CCn3c(n[nH]c3=O)C2)c2ncccc12.
What is the InChIKey of 7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is CPJLIUQRWIQFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-4-5-12(14-11(10)3-2-6-17-14)15(22)20-7-8-21-13(9-20)18-19-16(21)23/h2-6H,7-9H2,1H3,(H,19,23).
What are the key properties of 7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 309.33 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylquinoline-8-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 136564870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).