3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

C12H17N3O — CID 79306595

IUPAC3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCCC(C)C1Nc2ncc(C)cc2NC1=O
InChIInChI=1S/C12H17N3O/c1-4-8(3)10-12(16)14-9-5-7(2)6-13-11(9)15-10/h5-6,8,10H,4H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyRPZMQAITUSCWCQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.17
Rot. Bonds2

About 3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 79306595) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID79306595
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCCC(C)C1Nc2ncc(C)cc2NC1=O
InChIInChI=1S/C12H17N3O/c1-4-8(3)10-12(16)14-9-5-7(2)6-13-11(9)15-10/h5-6,8,10H,4H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyRPZMQAITUSCWCQ-UHFFFAOYSA-N
XLogP2.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (CID 79306595) is 3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is CCC(C)C1Nc2ncc(C)cc2NC1=O.
What is the InChIKey of 3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is RPZMQAITUSCWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-8(3)10-12(16)14-9-5-7(2)6-13-11(9)15-10/h5-6,8,10H,4H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 219.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 79306595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).