1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine

C9H10Cl2N2 — CID 15401909

IUPAC1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine
SMILESCC1(C)CCc2c(Cl)nnc(Cl)c21
InChIInChI=1S/C9H10Cl2N2/c1-9(2)4-3-5-6(9)8(11)13-12-7(5)10/h3-4H2,1-2H3
InChIKeyRJXGJSPFVCAHEC-UHFFFAOYSA-N
MW217.10 g/mol
LogP3.01
Rot. Bonds

About 1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine

1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine (PubChem CID 15401909) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine.

Molecular Properties

Compound Name1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine
PubChem CID15401909
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine
SMILESCC1(C)CCc2c(Cl)nnc(Cl)c21
InChIInChI=1S/C9H10Cl2N2/c1-9(2)4-3-5-6(9)8(11)13-12-7(5)10/h3-4H2,1-2H3
InChIKeyRJXGJSPFVCAHEC-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine?
The IUPAC name of 1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine (CID 15401909) is 1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine.
What is the SMILES notation for 1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine?
The canonical SMILES for 1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine is CC1(C)CCc2c(Cl)nnc(Cl)c21.
What is the InChIKey of 1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine?
The InChIKey is RJXGJSPFVCAHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c1-9(2)4-3-5-6(9)8(11)13-12-7(5)10/h3-4H2,1-2H3.
What are the key properties of 1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine?
1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine has a molecular weight of 217.10 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-5,5-dimethyl-6,7-dihydrocyclopenta[d]pyridazine is sourced from PubChem (CID 15401909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).