5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine

C15H23N5 — CID 58227098

IUPAC5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine
SMILESc1nnc(NC2CCCC2)cc1N1C[C@H]2CCN[C@H]2C1
InChIInChI=1S/C15H23N5/c1-2-4-12(3-1)18-15-7-13(8-17-19-15)20-9-11-5-6-16-14(11)10-20/h7-8,11-12,14,16H,1-6,9-10H2,(H,18,19)/t11-,14+/m1/s1
InChIKeyABHPVOANRZYXQV-RISCZKNCSA-N
MW273.38 g/mol
LogP1.63
Rot. Bonds3

About 5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine

5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine (PubChem CID 58227098) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine.

Molecular Properties

Compound Name5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine
PubChem CID58227098
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine
SMILESc1nnc(NC2CCCC2)cc1N1C[C@H]2CCN[C@H]2C1
InChIInChI=1S/C15H23N5/c1-2-4-12(3-1)18-15-7-13(8-17-19-15)20-9-11-5-6-16-14(11)10-20/h7-8,11-12,14,16H,1-6,9-10H2,(H,18,19)/t11-,14+/m1/s1
InChIKeyABHPVOANRZYXQV-RISCZKNCSA-N
XLogP1.63
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine?
The IUPAC name of 5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine (CID 58227098) is 5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine.
What is the SMILES notation for 5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine?
The canonical SMILES for 5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine is c1nnc(NC2CCCC2)cc1N1C[C@H]2CCN[C@H]2C1.
What is the InChIKey of 5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine?
The InChIKey is ABHPVOANRZYXQV-RISCZKNCSA-N. The full InChI is InChI=1S/C15H23N5/c1-2-4-12(3-1)18-15-7-13(8-17-19-15)20-9-11-5-6-16-14(11)10-20/h7-8,11-12,14,16H,1-6,9-10H2,(H,18,19)/t11-,14+/m1/s1.
What are the key properties of 5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine?
5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine has a molecular weight of 273.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine is sourced from PubChem (CID 58227098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).