3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine

C13H12N2 — CID 10797949

IUPAC3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine
SMILESc1ccc(-c2cc3c(nn2)CCC3)cc1
InChIInChI=1S/C13H12N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12(11)14-15-13/h1-3,5-6,9H,4,7-8H2
InChIKeyBDMJRBMWMQOMJU-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.63
Rot. Bonds1

About 3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine

3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine (PubChem CID 10797949) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine.

Molecular Properties

Compound Name3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine
PubChem CID10797949
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine
SMILESc1ccc(-c2cc3c(nn2)CCC3)cc1
InChIInChI=1S/C13H12N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12(11)14-15-13/h1-3,5-6,9H,4,7-8H2
InChIKeyBDMJRBMWMQOMJU-UHFFFAOYSA-N
XLogP2.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The IUPAC name of 3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine (CID 10797949) is 3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine.
What is the SMILES notation for 3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The canonical SMILES for 3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine is c1ccc(-c2cc3c(nn2)CCC3)cc1.
What is the InChIKey of 3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The InChIKey is BDMJRBMWMQOMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12(11)14-15-13/h1-3,5-6,9H,4,7-8H2.
What are the key properties of 3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine?
3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine has a molecular weight of 196.25 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine is sourced from PubChem (CID 10797949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).