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

C20H24N6 — CID 165399474

IUPAC(3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCc1c(-c2ccc(N3C[C@H]4CC(N)C[C@@H]4C3)nn2)ccc2nn(C)cc12
InChIInChI=1S/C20H24N6/c1-12-16(3-4-19-17(12)11-25(2)24-19)18-5-6-20(23-22-18)26-9-13-7-15(21)8-14(13)10-26/h3-6,11,13-15H,7-10,21H2,1-2H3/t13-,14-/m1/s1
InChIKeyCNYITTPHMQHKCY-ZIAGYGMSSA-N
MW348.45 g/mol
LogP2.51
Rot. Bonds2

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

(3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 165399474) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID165399474
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name(3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCc1c(-c2ccc(N3C[C@H]4CC(N)C[C@@H]4C3)nn2)ccc2nn(C)cc12
InChIInChI=1S/C20H24N6/c1-12-16(3-4-19-17(12)11-25(2)24-19)18-5-6-20(23-22-18)26-9-13-7-15(21)8-14(13)10-26/h3-6,11,13-15H,7-10,21H2,1-2H3/t13-,14-/m1/s1
InChIKeyCNYITTPHMQHKCY-ZIAGYGMSSA-N
XLogP2.51
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of (3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 165399474) is (3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for (3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for (3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is Cc1c(-c2ccc(N3C[C@H]4CC(N)C[C@@H]4C3)nn2)ccc2nn(C)cc12.
What is the InChIKey of (3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is CNYITTPHMQHKCY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H24N6/c1-12-16(3-4-19-17(12)11-25(2)24-19)18-5-6-20(23-22-18)26-9-13-7-15(21)8-14(13)10-26/h3-6,11,13-15H,7-10,21H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
(3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 348.45 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-2-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 165399474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).