3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide

C7H12N4O — CID 123882028

IUPAC3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESNC(=O)C1=NC2CNCCN2C1
InChIInChI=1S/C7H12N4O/c8-7(12)5-4-11-2-1-9-3-6(11)10-5/h6,9H,1-4H2,(H2,8,12)
InChIKeyFUZSELAKIOIYHU-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.84
Rot. Bonds1

About 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide

3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 123882028) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID123882028
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESNC(=O)C1=NC2CNCCN2C1
InChIInChI=1S/C7H12N4O/c8-7(12)5-4-11-2-1-9-3-6(11)10-5/h6,9H,1-4H2,(H2,8,12)
InChIKeyFUZSELAKIOIYHU-UHFFFAOYSA-N
XLogP-1.84
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66855874
1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine
CID 22562213
1-N,1-N-dimethylpiperazine-1,2-dicarboxamide
CID 79154530
2-(hydroxymethyl)piperazine-1-carboxamide
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(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 129416087
1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide
CID 123489655
2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid
CID 150144828
1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide
CID 107973355
1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazine-2-carboxamide
CID 114787140
1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one
CID 84650199
(8aS)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
CID 55300034

Frequently Asked Questions

What is the IUPAC name of 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide (CID 123882028) is 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide is NC(=O)C1=NC2CNCCN2C1.
What is the InChIKey of 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is FUZSELAKIOIYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-7(12)5-4-11-2-1-9-3-6(11)10-5/h6,9H,1-4H2,(H2,8,12).
What are the key properties of 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide?
3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 123882028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).