3,4-dimethyl-5,6,7,8-tetrahydrocinnoline

C10H14N2 — CID 165339766

IUPAC3,4-dimethyl-5,6,7,8-tetrahydrocinnoline
SMILESCc1nnc2c(c1C)CCCC2
InChIInChI=1S/C10H14N2/c1-7-8(2)11-12-10-6-4-3-5-9(7)10/h3-6H2,1-2H3
InChIKeyWSUGNZPINSWXPV-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.97
Rot. Bonds

About 3,4-dimethyl-5,6,7,8-tetrahydrocinnoline

3,4-dimethyl-5,6,7,8-tetrahydrocinnoline (PubChem CID 165339766) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3,4-dimethyl-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Name3,4-dimethyl-5,6,7,8-tetrahydrocinnoline
PubChem CID165339766
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3,4-dimethyl-5,6,7,8-tetrahydrocinnoline
SMILESCc1nnc2c(c1C)CCCC2
InChIInChI=1S/C10H14N2/c1-7-8(2)11-12-10-6-4-3-5-9(7)10/h3-6H2,1-2H3
InChIKeyWSUGNZPINSWXPV-UHFFFAOYSA-N
XLogP1.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,7,8,9,10-Octahydrobenzo[c]cinnolin-1-one oxime
CID 135449189
3-Methyl-5-nitroso-2,6,7,8-tetrahydrocinnoline
CID 135449557
3-Chloro-5,6,7,8-tetrahydrocinnoline-4-carbonitrile
CID 85761029
1,2,3,6,7,8-Hexahydrocinnolino[5,4,3-cde]cinnoline
CID 255562
Tetramethylpyridazine
CID 12750033
4,5-Diazaindan, 6,7-dimethyl-
CID 58890735
Cinnoline, 5,6,7,8-tetrahydro-3-methyl-
CID 59271933
1,4-Dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 90182986
N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine
CID 608327
3,4-Pentamethylene-5,6,7,8-tetrahydrocinnoline
CID 165339889
3-Phenyl-5,6,7,8-tetrahydrocinnoline
CID 15275303
3-Tert-butyl-5,6,7,8-tetrahydrocinnoline
CID 121391274

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of 3,4-dimethyl-5,6,7,8-tetrahydrocinnoline (CID 165339766) is 3,4-dimethyl-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for 3,4-dimethyl-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for 3,4-dimethyl-5,6,7,8-tetrahydrocinnoline is Cc1nnc2c(c1C)CCCC2.
What is the InChIKey of 3,4-dimethyl-5,6,7,8-tetrahydrocinnoline?
The InChIKey is WSUGNZPINSWXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-8(2)11-12-10-6-4-3-5-9(7)10/h3-6H2,1-2H3.
What are the key properties of 3,4-dimethyl-5,6,7,8-tetrahydrocinnoline?
3,4-dimethyl-5,6,7,8-tetrahydrocinnoline has a molecular weight of 162.24 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 165339766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).