ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine

C13H22N2 — CID 144749833

IUPACethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCC.Cc1nnc(C(C)C)c2c1CCC2
InChIInChI=1S/C11H16N2.C2H6/c1-7(2)11-10-6-4-5-9(10)8(3)12-13-11;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyRZZNBYLMFRMWRA-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.42
Rot. Bonds1

About ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine

ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine (PubChem CID 144749833) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine.

Molecular Properties

Compound Nameethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine
PubChem CID144749833
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCC.Cc1nnc(C(C)C)c2c1CCC2
InChIInChI=1S/C11H16N2.C2H6/c1-7(2)11-10-6-4-5-9(10)8(3)12-13-11;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyRZZNBYLMFRMWRA-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetramethylpyridazine
CID 12750033
4,5-Diazaindan, 6,7-dimethyl-
CID 58890735
4,5-Diazaindan, 6-methyl-
CID 59271921
1,4-Dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 90182986
Cinnoline, 5,6,7,8-tetrahydro-3,4-dimethyl-
CID 165339766
5-Cyclopropyl-3,4-difluoro-6-propan-2-ylpyridazine
CID 153456757
4-Cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane
CID 164557688
4-Cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine
CID 164557689
4-Cyclopropyl-3,6-dimethyl-5-(trifluoromethyl)pyridazine;ethane
CID 168913059
1,4-Ditert-butyl-5,5-difluoro-6,7-dihydrocyclopenta[d]pyridazine
CID 170258531
4-Cyclopropyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine
CID 171408426
4-Methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine
CID 171408429

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The IUPAC name of ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine (CID 144749833) is ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine.
What is the SMILES notation for ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The canonical SMILES for ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine is CC.Cc1nnc(C(C)C)c2c1CCC2.
What is the InChIKey of ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The InChIKey is RZZNBYLMFRMWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-7(2)11-10-6-4-5-9(10)8(3)12-13-11;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine has a molecular weight of 206.33 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine is sourced from PubChem (CID 144749833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).