1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one

C15H13N7O2 — CID 136513647

IUPAC1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one
SMILESCn1ncc2c(=O)n(Cc3nc4ccccc4n(C)c3=O)nnc21
InChIInChI=1S/C15H13N7O2/c1-20-12-6-4-3-5-10(12)17-11(15(20)24)8-22-14(23)9-7-16-21(2)13(9)18-19-22/h3-7H,8H2,1-2H3
InChIKeyBXAIAUNFONWSBL-UHFFFAOYSA-N
MW323.32 g/mol
LogP-0.18
Rot. Bonds2

About 1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one

1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one (PubChem CID 136513647) has the molecular formula C15H13N7O2 and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one
PubChem CID136513647
Molecular FormulaC15H13N7O2
Molecular Weight323.32 g/mol
Exact Mass323.11
IUPAC Name1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one
SMILESCn1ncc2c(=O)n(Cc3nc4ccccc4n(C)c3=O)nnc21
InChIInChI=1S/C15H13N7O2/c1-20-12-6-4-3-5-10(12)17-11(15(20)24)8-22-14(23)9-7-16-21(2)13(9)18-19-22/h3-7H,8H2,1-2H3
InChIKeyBXAIAUNFONWSBL-UHFFFAOYSA-N
XLogP-0.18
TPSA100.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one with MolForge

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Related Compounds

3-[[3-(aminomethyl)-2-fluorophenyl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107113919
3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107347731
3-[(6-chloropyridazin-3-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 104514014
3-[(1-benzylimidazol-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513674
3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80609361
3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80663299
3-[2-(2,3-difluorophenyl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 167822338
3-[(2R)-2-aminopropyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 103934867
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513648
3-(3-ethylsulfanylpropyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 103744176
3-(9-bromononyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 105343168
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 80664214

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one?
The IUPAC name of 1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one (CID 136513647) is 1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one is Cn1ncc2c(=O)n(Cc3nc4ccccc4n(C)c3=O)nnc21.
What is the InChIKey of 1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one?
The InChIKey is BXAIAUNFONWSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O2/c1-20-12-6-4-3-5-10(12)17-11(15(20)24)8-22-14(23)9-7-16-21(2)13(9)18-19-22/h3-7H,8H2,1-2H3.
What are the key properties of 1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one?
1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one has a molecular weight of 323.32 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)methyl]quinoxalin-2-one is sourced from PubChem (CID 136513647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).