(3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

C11H15N3O — CID 82396244

IUPAC(3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCC(C)C[C@H]1Nc2ncccc2NC1=O
InChIInChI=1S/C11H15N3O/c1-7(2)6-9-11(15)14-8-4-3-5-12-10(8)13-9/h3-5,7,9H,6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyLUSKFSVEZBAFFC-SECBINFHSA-N
MW205.26 g/mol
LogP1.86
Rot. Bonds2

About (3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

(3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 82396244) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name(3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID82396244
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCC(C)C[C@H]1Nc2ncccc2NC1=O
InChIInChI=1S/C11H15N3O/c1-7(2)6-9-11(15)14-8-4-3-5-12-10(8)13-9/h3-5,7,9H,6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyLUSKFSVEZBAFFC-SECBINFHSA-N
XLogP1.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of (3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (CID 82396244) is (3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for (3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for (3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is CC(C)C[C@H]1Nc2ncccc2NC1=O.
What is the InChIKey of (3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is LUSKFSVEZBAFFC-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)6-9-11(15)14-8-4-3-5-12-10(8)13-9/h3-5,7,9H,6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
(3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 82396244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).