6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C18H18F3N7O — CID 155975075

IUPAC6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCC(COc4cc5c(nn4)CCC5)C3)nn12
InChIInChI=1S/C18H18F3N7O/c19-18(20,21)17-25-23-14-4-5-15(26-28(14)17)27-7-6-11(9-27)10-29-16-8-12-2-1-3-13(12)22-24-16/h4-5,8,11H,1-3,6-7,9-10H2
InChIKeyUSNJYMQYRMJDBH-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.33
Rot. Bonds4

About 6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 155975075) has the molecular formula C18H18F3N7O and a molecular weight of 405.38 g/mol. Its IUPAC name is 6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID155975075
Molecular FormulaC18H18F3N7O
Molecular Weight405.38 g/mol
Exact Mass405.15
IUPAC Name6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCC(COc4cc5c(nn4)CCC5)C3)nn12
InChIInChI=1S/C18H18F3N7O/c19-18(20,21)17-25-23-14-4-5-15(26-28(14)17)27-7-6-11(9-27)10-29-16-8-12-2-1-3-13(12)22-24-16/h4-5,8,11H,1-3,6-7,9-10H2
InChIKeyUSNJYMQYRMJDBH-UHFFFAOYSA-N
XLogP2.33
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 155975075) is 6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(N3CCC(COc4cc5c(nn4)CCC5)C3)nn12.
What is the InChIKey of 6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is USNJYMQYRMJDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7O/c19-18(20,21)17-25-23-14-4-5-15(26-28(14)17)27-7-6-11(9-27)10-29-16-8-12-2-1-3-13(12)22-24-16/h4-5,8,11H,1-3,6-7,9-10H2.
What are the key properties of 6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 405.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 155975075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).