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

C11H16N2 — CID 144749834

IUPAC1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCc1nnc(C(C)C)c2c1CCC2
InChIInChI=1S/C11H16N2/c1-7(2)11-10-6-4-5-9(10)8(3)12-13-11/h7H,4-6H2,1-3H3
InChIKeyCRKONRAORUETTR-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.40
Rot. Bonds1

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

1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine (PubChem CID 144749834) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine
PubChem CID144749834
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCc1nnc(C(C)C)c2c1CCC2
InChIInChI=1S/C11H16N2/c1-7(2)11-10-6-4-5-9(10)8(3)12-13-11/h7H,4-6H2,1-3H3
InChIKeyCRKONRAORUETTR-UHFFFAOYSA-N
XLogP2.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.40
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 1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The IUPAC name of 1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine (CID 144749834) is 1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine.
What is the SMILES notation for 1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The canonical SMILES for 1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine is Cc1nnc(C(C)C)c2c1CCC2.
What is the InChIKey of 1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The InChIKey is CRKONRAORUETTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7(2)11-10-6-4-5-9(10)8(3)12-13-11/h7H,4-6H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine has a molecular weight of 176.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyridazine is sourced from PubChem (CID 144749834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).