1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine

C12H18N2 — CID 90182986

IUPAC1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
SMILESCc1nnc(C)c2c1CCCCCC2
InChIInChI=1S/C12H18N2/c1-9-11-7-5-3-4-6-8-12(11)10(2)14-13-9/h3-8H2,1-2H3
InChIKeyUCCSPGWZCZLJBQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.75
Rot. Bonds

About 1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine

1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine (PubChem CID 90182986) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine.

Molecular Properties

Compound Name1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
PubChem CID90182986
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
SMILESCc1nnc(C)c2c1CCCCCC2
InChIInChI=1S/C12H18N2/c1-9-11-7-5-3-4-6-8-12(11)10(2)14-13-9/h3-8H2,1-2H3
InChIKeyUCCSPGWZCZLJBQ-UHFFFAOYSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The IUPAC name of 1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine (CID 90182986) is 1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine.
What is the SMILES notation for 1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The canonical SMILES for 1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine is Cc1nnc(C)c2c1CCCCCC2.
What is the InChIKey of 1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The InChIKey is UCCSPGWZCZLJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-11-7-5-3-4-6-8-12(11)10(2)14-13-9/h3-8H2,1-2H3.
What are the key properties of 1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine has a molecular weight of 190.29 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine is sourced from PubChem (CID 90182986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).