1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone

C12H17N3O — CID 82392897

IUPAC1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone
SMILESCC(=O)N1C[C@H](C(C)C)Nc2ncccc21
InChIInChI=1S/C12H17N3O/c1-8(2)10-7-15(9(3)16)11-5-4-6-13-12(11)14-10/h4-6,8,10H,7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyMQGFWJIJLDYQLU-SNVBAGLBSA-N
MW219.29 g/mol
LogP1.88
Rot. Bonds1

About 1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone

1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone (PubChem CID 82392897) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone
PubChem CID82392897
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone
SMILESCC(=O)N1C[C@H](C(C)C)Nc2ncccc21
InChIInChI=1S/C12H17N3O/c1-8(2)10-7-15(9(3)16)11-5-4-6-13-12(11)14-10/h4-6,8,10H,7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyMQGFWJIJLDYQLU-SNVBAGLBSA-N
XLogP1.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone (CID 82392897) is 1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone is CC(=O)N1C[C@H](C(C)C)Nc2ncccc21.
What is the InChIKey of 1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone?
The InChIKey is MQGFWJIJLDYQLU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)10-7-15(9(3)16)11-5-4-6-13-12(11)14-10/h4-6,8,10H,7H2,1-3H3,(H,13,14)/t10-/m1/s1.
What are the key properties of 1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone?
1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone has a molecular weight of 219.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone is sourced from PubChem (CID 82392897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).