(3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C13H19N3 — CID 146043207

IUPAC(3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCc1cnnc(N2C[C@H]3CCC[C@H]3C2)c1C
InChIInChI=1S/C13H19N3/c1-9-6-14-15-13(10(9)2)16-7-11-4-3-5-12(11)8-16/h6,11-12H,3-5,7-8H2,1-2H3/t11-,12+
InChIKeyYPTFCARZGWQHGU-TXEJJXNPSA-N
MW217.32 g/mol
LogP2.33
Rot. Bonds1

About (3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

(3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 146043207) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID146043207
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCc1cnnc(N2C[C@H]3CCC[C@H]3C2)c1C
InChIInChI=1S/C13H19N3/c1-9-6-14-15-13(10(9)2)16-7-11-4-3-5-12(11)8-16/h6,11-12H,3-5,7-8H2,1-2H3/t11-,12+
InChIKeyYPTFCARZGWQHGU-TXEJJXNPSA-N
XLogP2.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 146043207) is (3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is Cc1cnnc(N2C[C@H]3CCC[C@H]3C2)c1C.
What is the InChIKey of (3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is YPTFCARZGWQHGU-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H19N3/c1-9-6-14-15-13(10(9)2)16-7-11-4-3-5-12(11)8-16/h6,11-12H,3-5,7-8H2,1-2H3/t11-,12+.
What are the key properties of (3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 217.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 146043207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).