2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C13H18N4O — CID 82862697

IUPAC2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNc1cccc(CN2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C13H18N4O/c14-12-3-1-2-10(15-12)8-16-6-7-17-11(9-16)4-5-13(17)18/h1-3,11H,4-9H2,(H2,14,15)
InChIKeyUQDBXEZESAENLL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.47
Rot. Bonds2

About 2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82862697) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82862697
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNc1cccc(CN2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C13H18N4O/c14-12-3-1-2-10(15-12)8-16-6-7-17-11(9-16)4-5-13(17)18/h1-3,11H,4-9H2,(H2,14,15)
InChIKeyUQDBXEZESAENLL-UHFFFAOYSA-N
XLogP0.47
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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Related Compounds

N-[(5S)-5-acetamido-6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-6-oxohexyl]prop-2-enamide
CID 71462878
(2S)-N-(6-methylpyridin-2-yl)pyrrolidine-2-carboxamide
CID 11506689
Propanamide, N-(1-methyl-2-(1-piperidinyl)ethyl)-N-(6-methyl-2-pyridinyl)-
CID 3041463
(2S)-1-(2-anilino-2-oxoethyl)-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 53595248
(2S)-1-[2-(azepan-1-yl)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 53603529
3-{[4-(6-Methyl-2-pyridinyl)-1-piperazinyl]carbonyl}-2,8-diazaspiro[4.5]decane
CID 56913858
N,N-dimethyl-5-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-5-oxopentanamide
CID 71984206
(8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75368564
7,8-Dimethyl-2-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)ethyl)-1h-purin-6(7h)-one
CID 134814179
N-(6-methylpyridin-2-yl)-D-prolinamide
CID 103813205
6-(3-Oxo-2,8-diazaspiro[4.5]dec-8-yl)pyridine-2-carbonitrile
CID 50952305
1-{4-[(6-Aminopyridin-2-yl)methyl]piperazin-1-yl}ethan-1-one
CID 71683243

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82862697) is 2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Nc1cccc(CN2CCN3C(=O)CCC3C2)n1.
What is the InChIKey of 2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is UQDBXEZESAENLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-12-3-1-2-10(15-12)8-16-6-7-17-11(9-16)4-5-13(17)18/h1-3,11H,4-9H2,(H2,14,15).
What are the key properties of 2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 246.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82862697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).