4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C12H17N3O — CID 79293757

IUPAC4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC(C)N1CC(=O)Nc2c(C)ccnc21
InChIInChI=1S/C12H17N3O/c1-4-9(3)15-7-10(16)14-11-8(2)5-6-13-12(11)15/h5-6,9H,4,7H2,1-3H3,(H,14,16)
InChIKeyJRGDYEFVYKYJBL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.95
Rot. Bonds2

About 4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 79293757) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID79293757
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC(C)N1CC(=O)Nc2c(C)ccnc21
InChIInChI=1S/C12H17N3O/c1-4-9(3)15-7-10(16)14-11-8(2)5-6-13-12(11)15/h5-6,9H,4,7H2,1-3H3,(H,14,16)
InChIKeyJRGDYEFVYKYJBL-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 79293757) is 4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCC(C)N1CC(=O)Nc2c(C)ccnc21.
What is the InChIKey of 4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is JRGDYEFVYKYJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-9(3)15-7-10(16)14-11-8(2)5-6-13-12(11)15/h5-6,9H,4,7H2,1-3H3,(H,14,16).
What are the key properties of 4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 79293757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).