4,8a-dimethyl-1H-cinnoline

C10H12N2 — CID 174325542

IUPAC4,8a-dimethyl-1H-cinnoline
SMILESCC1=C2C=CC=CC2(C)NN=C1
InChIInChI=1S/C10H12N2/c1-8-7-11-12-10(2)6-4-3-5-9(8)10/h3-7,12H,1-2H3
InChIKeyZJQHFBZAPXOWFV-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.78
Rot. Bonds

About 4,8a-dimethyl-1H-cinnoline

4,8a-dimethyl-1H-cinnoline (PubChem CID 174325542) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4,8a-dimethyl-1H-cinnoline.

Molecular Properties

Compound Name4,8a-dimethyl-1H-cinnoline
PubChem CID174325542
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4,8a-dimethyl-1H-cinnoline
SMILESCC1=C2C=CC=CC2(C)NN=C1
InChIInChI=1S/C10H12N2/c1-8-7-11-12-10(2)6-4-3-5-9(8)10/h3-7,12H,1-2H3
InChIKeyZJQHFBZAPXOWFV-UHFFFAOYSA-N
XLogP1.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydrocinnoline
CID 129195589
4,6,6-trimethyl-1H-pyridazine
CID 66641412
1,2,6,7-Tetrahydrophthalazine
CID 142189690
4-ethenyl-6-[(Z)-prop-1-enyl]-1,6-dihydropyridazine
CID 143080177
1,8a-Dihydrocinnoline
CID 147330054
6,6-dimethyl-4-propan-2-yl-1H-pyridazine
CID 153635437
6-ethyl-6-methyl-1H-pyridazine
CID 173082589

Frequently Asked Questions

What is the IUPAC name of 4,8a-dimethyl-1H-cinnoline?
The IUPAC name of 4,8a-dimethyl-1H-cinnoline (CID 174325542) is 4,8a-dimethyl-1H-cinnoline.
What is the SMILES notation for 4,8a-dimethyl-1H-cinnoline?
The canonical SMILES for 4,8a-dimethyl-1H-cinnoline is CC1=C2C=CC=CC2(C)NN=C1.
What is the InChIKey of 4,8a-dimethyl-1H-cinnoline?
The InChIKey is ZJQHFBZAPXOWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-7-11-12-10(2)6-4-3-5-9(8)10/h3-7,12H,1-2H3.
What are the key properties of 4,8a-dimethyl-1H-cinnoline?
4,8a-dimethyl-1H-cinnoline has a molecular weight of 160.22 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8a-dimethyl-1H-cinnoline is sourced from PubChem (CID 174325542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).