(3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride

C11H17Cl3N4 — CID 154639878

IUPAC(3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride
SMILESCl.Cl.NC1C[C@@H]2CN(c3ccc(Cl)nn3)C[C@H]2C1
InChIInChI=1S/C11H15ClN4.2ClH/c12-10-1-2-11(15-14-10)16-5-7-3-9(13)4-8(7)6-16;;/h1-2,7-9H,3-6,13H2;2*1H/t7-,8-;;/m1../s1
InChIKeyYQPOMNLPHAOVNM-RHJRFJOKSA-N
MW311.64 g/mol
LogP2.15
Rot. Bonds1

About (3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride

(3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride (PubChem CID 154639878) has the molecular formula C11H17Cl3N4 and a molecular weight of 311.64 g/mol. Its IUPAC name is (3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride.

Molecular Properties

Compound Name(3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride
PubChem CID154639878
Molecular FormulaC11H17Cl3N4
Molecular Weight311.64 g/mol
Exact Mass310.05
IUPAC Name(3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride
SMILESCl.Cl.NC1C[C@@H]2CN(c3ccc(Cl)nn3)C[C@H]2C1
InChIInChI=1S/C11H15ClN4.2ClH/c12-10-1-2-11(15-14-10)16-5-7-3-9(13)4-8(7)6-16;;/h1-2,7-9H,3-6,13H2;2*1H/t7-,8-;;/m1../s1
InChIKeyYQPOMNLPHAOVNM-RHJRFJOKSA-N
XLogP2.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride 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 (3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride?
The IUPAC name of (3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride (CID 154639878) is (3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride.
What is the SMILES notation for (3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride?
The canonical SMILES for (3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride is Cl.Cl.NC1C[C@@H]2CN(c3ccc(Cl)nn3)C[C@H]2C1.
What is the InChIKey of (3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride?
The InChIKey is YQPOMNLPHAOVNM-RHJRFJOKSA-N. The full InChI is InChI=1S/C11H15ClN4.2ClH/c12-10-1-2-11(15-14-10)16-5-7-3-9(13)4-8(7)6-16;;/h1-2,7-9H,3-6,13H2;2*1H/t7-,8-;;/m1../s1.
What are the key properties of (3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride?
(3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride has a molecular weight of 311.64 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride is sourced from PubChem (CID 154639878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).