1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine

C13H22N4 — CID 68762396

IUPAC1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
SMILESC1=C2CNCCN2CC1.C1=C2NCCC2CN1
InChIInChI=1S/C7H12N2.C6H10N2/c1-2-7-6-8-3-5-9(7)4-1;1-2-8-6-4-7-3-5(1)6/h2,8H,1,3-6H2;4-5,7-8H,1-3H2
InChIKeyGNUNORYHCXKNLK-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.22
Rot. Bonds

About 1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine

1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine (PubChem CID 68762396) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
PubChem CID68762396
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
SMILESC1=C2CNCCN2CC1.C1=C2NCCC2CN1
InChIInChI=1S/C7H12N2.C6H10N2/c1-2-7-6-8-3-5-9(7)4-1;1-2-8-6-4-7-3-5(1)6/h2,8H,1,3-6H2;4-5,7-8H,1-3H2
InChIKeyGNUNORYHCXKNLK-UHFFFAOYSA-N
XLogP0.22
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine 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 1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine (CID 68762396) is 1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine is C1=C2CNCCN2CC1.C1=C2NCCC2CN1.
What is the InChIKey of 1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The InChIKey is GNUNORYHCXKNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H10N2/c1-2-7-6-8-3-5-9(7)4-1;1-2-8-6-4-7-3-5(1)6/h2,8H,1,3-6H2;4-5,7-8H,1-3H2.
What are the key properties of 1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine has a molecular weight of 234.35 g/mol, XLogP of 0.22, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyrrole;1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 68762396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).