1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine

C7H12N2 — CID 66872351

IUPAC1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
SMILESC1=C2CNCCN2CC1
InChIInChI=1S/C7H12N2/c1-2-7-6-8-3-5-9(7)4-1/h2,8H,1,3-6H2
InChIKeyOPBSNAYKUYMJDO-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.18
Rot. Bonds

About 1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine

1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine (PubChem CID 66872351) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
PubChem CID66872351
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
SMILESC1=C2CNCCN2CC1
InChIInChI=1S/C7H12N2/c1-2-7-6-8-3-5-9(7)4-1/h2,8H,1,3-6H2
InChIKeyOPBSNAYKUYMJDO-UHFFFAOYSA-N
XLogP0.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine (CID 66872351) is 1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine is C1=C2CNCCN2CC1.
What is the InChIKey of 1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The InChIKey is OPBSNAYKUYMJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-7-6-8-3-5-9(7)4-1/h2,8H,1,3-6H2.
What are the key properties of 1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine has a molecular weight of 124.19 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 66872351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).