2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C13H19N5O2 — CID 107499557

IUPAC2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNCCn1cnc(C(=O)N2CCN3C(=O)CCC3C2)c1
InChIInChI=1S/C13H19N5O2/c14-3-4-16-8-11(15-9-16)13(20)17-5-6-18-10(7-17)1-2-12(18)19/h8-10H,1-7,14H2
InChIKeyFOEQIAWBCHTWQH-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.71
Rot. Bonds3

About 2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 107499557) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID107499557
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNCCn1cnc(C(=O)N2CCN3C(=O)CCC3C2)c1
InChIInChI=1S/C13H19N5O2/c14-3-4-16-8-11(15-9-16)13(20)17-5-6-18-10(7-17)1-2-12(18)19/h8-10H,1-7,14H2
InChIKeyFOEQIAWBCHTWQH-UHFFFAOYSA-N
XLogP-0.71
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-aminoethyl)imidazol-4-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107499858
[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 107498501
[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone
CID 107497963
4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 107497233
2-(6-chloropyrazine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 106551618
1-[1-(2-aminoethyl)imidazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 107498657
[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107499533
2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863356
2-(1H-1,2,4-triazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862784
[1-(2-aminoethyl)imidazol-4-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114172299
[1-(2-aminoethyl)imidazol-4-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 107499846
2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857155

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 107499557) is 2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is NCCn1cnc(C(=O)N2CCN3C(=O)CCC3C2)c1.
What is the InChIKey of 2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is FOEQIAWBCHTWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c14-3-4-16-8-11(15-9-16)13(20)17-5-6-18-10(7-17)1-2-12(18)19/h8-10H,1-7,14H2.
What are the key properties of 2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 277.33 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 107499557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).