4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine

C11H16N2 — CID 139297356

IUPAC4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
SMILESCc1nncc2c1CCCCCC2
InChIInChI=1S/C11H16N2/c1-9-11-7-5-3-2-4-6-10(11)8-12-13-9/h8H,2-7H2,1H3
InChIKeyCGWGAIAENYMPPJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.44
Rot. Bonds

About 4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine

4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine (PubChem CID 139297356) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine.

Molecular Properties

Compound Name4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
PubChem CID139297356
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
SMILESCc1nncc2c1CCCCCC2
InChIInChI=1S/C11H16N2/c1-9-11-7-5-3-2-4-6-10(11)8-12-13-9/h8H,2-7H2,1H3
InChIKeyCGWGAIAENYMPPJ-UHFFFAOYSA-N
XLogP2.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The IUPAC name of 4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine (CID 139297356) is 4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine.
What is the SMILES notation for 4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The canonical SMILES for 4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine is Cc1nncc2c1CCCCCC2.
What is the InChIKey of 4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The InChIKey is CGWGAIAENYMPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-11-7-5-3-2-4-6-10(11)8-12-13-9/h8H,2-7H2,1H3.
What are the key properties of 4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine has a molecular weight of 176.26 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine is sourced from PubChem (CID 139297356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).