1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine

C6H11N3 — CID 175930748

IUPAC1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine
SMILESNC1NCC2CNC=C21
InChIInChI=1S/C6H11N3/c7-6-5-3-8-1-4(5)2-9-6/h3-4,6,8-9H,1-2,7H2
InChIKeyWWJKHWYYPHIPTR-UHFFFAOYSA-N
MW125.17 g/mol
LogP-1.02
Rot. Bonds

About 1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine

1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine (PubChem CID 175930748) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine.

Molecular Properties

Compound Name1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine
PubChem CID175930748
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine
SMILESNC1NCC2CNC=C21
InChIInChI=1S/C6H11N3/c7-6-5-3-8-1-4(5)2-9-6/h3-4,6,8-9H,1-2,7H2
InChIKeyWWJKHWYYPHIPTR-UHFFFAOYSA-N
XLogP-1.02
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine?
The IUPAC name of 1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine (CID 175930748) is 1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine.
What is the SMILES notation for 1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine?
The canonical SMILES for 1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine is NC1NCC2CNC=C21.
What is the InChIKey of 1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine?
The InChIKey is WWJKHWYYPHIPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-6-5-3-8-1-4(5)2-9-6/h3-4,6,8-9H,1-2,7H2.
What are the key properties of 1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine?
1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine has a molecular weight of 125.17 g/mol, XLogP of -1.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-amine is sourced from PubChem (CID 175930748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).