1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide

C8H15N3O — CID 66926858

IUPAC1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESNC(=O)C1CN2CCCC2CN1
InChIInChI=1S/C8H15N3O/c9-8(12)7-5-11-3-1-2-6(11)4-10-7/h6-7,10H,1-5H2,(H2,9,12)
InChIKeySRQHROGHONLGSF-UHFFFAOYSA-N
MW169.23 g/mol
LogP-1.09
Rot. Bonds1

About 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide

1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 66926858) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID66926858
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESNC(=O)C1CN2CCCC2CN1
InChIInChI=1S/C8H15N3O/c9-8(12)7-5-11-3-1-2-6(11)4-10-7/h6-7,10H,1-5H2,(H2,9,12)
InChIKeySRQHROGHONLGSF-UHFFFAOYSA-N
XLogP-1.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide (CID 66926858) is 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide is NC(=O)C1CN2CCCC2CN1.
What is the InChIKey of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is SRQHROGHONLGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c9-8(12)7-5-11-3-1-2-6(11)4-10-7/h6-7,10H,1-5H2,(H2,9,12).
What are the key properties of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide?
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 169.23 g/mol, XLogP of -1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 66926858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).