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

C13H19N3O — CID 96597656

IUPAC1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone
SMILESCC(=O)N1C[C@@H](CC(C)C)Nc2ccncc21
InChIInChI=1S/C13H19N3O/c1-9(2)6-11-8-16(10(3)17)13-7-14-5-4-12(13)15-11/h4-5,7,9,11,15H,6,8H2,1-3H3/t11-/m1/s1
InChIKeyNVVAZHRLDUXRLX-LLVKDONJSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds2

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

1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone (PubChem CID 96597656) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone
PubChem CID96597656
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone
SMILESCC(=O)N1C[C@@H](CC(C)C)Nc2ccncc21
InChIInChI=1S/C13H19N3O/c1-9(2)6-11-8-16(10(3)17)13-7-14-5-4-12(13)15-11/h4-5,7,9,11,15H,6,8H2,1-3H3/t11-/m1/s1
InChIKeyNVVAZHRLDUXRLX-LLVKDONJSA-N
XLogP2.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone (CID 96597656) is 1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone is CC(=O)N1C[C@@H](CC(C)C)Nc2ccncc21.
What is the InChIKey of 1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone?
The InChIKey is NVVAZHRLDUXRLX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)6-11-8-16(10(3)17)13-7-14-5-4-12(13)15-11/h4-5,7,9,11,15H,6,8H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone?
1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-methylpropyl)-2,3-dihydro-1H-pyrido[3,4-b]pyrazin-4-yl]ethanone is sourced from PubChem (CID 96597656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).