(9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one

C13H18N4O — CID 124567388

IUPAC(9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one
SMILESNc1ccc(N2CCN3CCCC[C@@H]3C2=O)cn1
InChIInChI=1S/C13H18N4O/c14-12-5-4-10(9-15-12)17-8-7-16-6-2-1-3-11(16)13(17)18/h4-5,9,11H,1-3,6-8H2,(H2,14,15)/t11-/m1/s1
InChIKeyLQPPBDSKWIFZOF-LLVKDONJSA-N
MW246.31 g/mol
LogP0.86
Rot. Bonds1

About (9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one

(9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one (PubChem CID 124567388) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one
PubChem CID124567388
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one
SMILESNc1ccc(N2CCN3CCCC[C@@H]3C2=O)cn1
InChIInChI=1S/C13H18N4O/c14-12-5-4-10(9-15-12)17-8-7-16-6-2-1-3-11(16)13(17)18/h4-5,9,11H,1-3,6-8H2,(H2,14,15)/t11-/m1/s1
InChIKeyLQPPBDSKWIFZOF-LLVKDONJSA-N
XLogP0.86
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one?
The IUPAC name of (9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one (CID 124567388) is (9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one.
What is the SMILES notation for (9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one?
The canonical SMILES for (9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one is Nc1ccc(N2CCN3CCCC[C@@H]3C2=O)cn1.
What is the InChIKey of (9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one?
The InChIKey is LQPPBDSKWIFZOF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N4O/c14-12-5-4-10(9-15-12)17-8-7-16-6-2-1-3-11(16)13(17)18/h4-5,9,11H,1-3,6-8H2,(H2,14,15)/t11-/m1/s1.
What are the key properties of (9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one?
(9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one has a molecular weight of 246.31 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one is sourced from PubChem (CID 124567388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).