3-ethyl-5,6,7,8-tetrahydrocinnoline

C10H14N2 — CID 166104233

IUPAC3-ethyl-5,6,7,8-tetrahydrocinnoline
SMILESCCc1cc2c(nn1)CCCC2
InChIInChI=1S/C10H14N2/c1-2-9-7-8-5-3-4-6-10(8)12-11-9/h7H,2-6H2,1H3
InChIKeyMZJAJRNGLHLQEO-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.92
Rot. Bonds1

About 3-ethyl-5,6,7,8-tetrahydrocinnoline

3-ethyl-5,6,7,8-tetrahydrocinnoline (PubChem CID 166104233) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-ethyl-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Name3-ethyl-5,6,7,8-tetrahydrocinnoline
PubChem CID166104233
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-ethyl-5,6,7,8-tetrahydrocinnoline
SMILESCCc1cc2c(nn1)CCCC2
InChIInChI=1S/C10H14N2/c1-2-9-7-8-5-3-4-6-10(8)12-11-9/h7H,2-6H2,1H3
InChIKeyMZJAJRNGLHLQEO-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylcinnolin-5-amine
CID 5310645
Benzo(c)cinnoline
CID 9190
3-Phenylpyridazine
CID 193499
3-Phenylcinnoline
CID 82763
3-Methyl-5-nitroso-2,6,7,8-tetrahydrocinnoline
CID 135449557
3,4-Dimethylcinnoline
CID 594068
3-Phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 10797949
4-Methyl-3,6-diphenylpyridazine
CID 6401437
3,6-Bis(2-phenylethynyl)pyridazine
CID 12680261
3,6-Diphenylpyridazine
CID 6401331
Pyridazine, 3,6-bis(4-methylphenyl)-
CID 12230350
6-Methyl-3,4-diphenylpyridazine
CID 6411990

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of 3-ethyl-5,6,7,8-tetrahydrocinnoline (CID 166104233) is 3-ethyl-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for 3-ethyl-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for 3-ethyl-5,6,7,8-tetrahydrocinnoline is CCc1cc2c(nn1)CCCC2.
What is the InChIKey of 3-ethyl-5,6,7,8-tetrahydrocinnoline?
The InChIKey is MZJAJRNGLHLQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-9-7-8-5-3-4-6-10(8)12-11-9/h7H,2-6H2,1H3.
What are the key properties of 3-ethyl-5,6,7,8-tetrahydrocinnoline?
3-ethyl-5,6,7,8-tetrahydrocinnoline has a molecular weight of 162.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 166104233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).