6,6-dimethylcyclohepta[b]pyrazine

C11H12N2 — CID 89009892

IUPAC6,6-dimethylcyclohepta[b]pyrazine
SMILESCC1(C)C=CC=c2nccnc2=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-3-4-9-10(8-11)13-7-6-12-9/h3-8H,1-2H3
InChIKeyUQVFJYDZKSBEBY-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.63
Rot. Bonds

About 6,6-dimethylcyclohepta[b]pyrazine

6,6-dimethylcyclohepta[b]pyrazine (PubChem CID 89009892) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 6,6-dimethylcyclohepta[b]pyrazine.

Molecular Properties

Compound Name6,6-dimethylcyclohepta[b]pyrazine
PubChem CID89009892
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name6,6-dimethylcyclohepta[b]pyrazine
SMILESCC1(C)C=CC=c2nccnc2=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-3-4-9-10(8-11)13-7-6-12-9/h3-8H,1-2H3
InChIKeyUQVFJYDZKSBEBY-UHFFFAOYSA-N
XLogP0.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine
CID 142913217
(2E)-3-methylidene-2-prop-2-enylidenepyridine
CID 60116677
N-(6-methylcyclohexa-1,5-dien-1-yl)ethanimine
CID 68266833
N-[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]ethanimine
CID 68360465
8,8-Dimethylpyridazino[4,3-c]azepine
CID 70325137
3-Methylidene-2-prop-2-enylidenepyridine
CID 72652539
7-[(1Z)-buta-1,3-dienyl]-6-methyl-3H-azepine
CID 88243648
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
8H-benzo[b]azepin-8-ylium
CID 88481475
(2E)-2-[(Z)-but-2-enylidene]-3H-pyridine
CID 88542841
(2E,3Z)-2,3-di(ethylidene)pyridine
CID 88552849
(2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine
CID 88561271

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylcyclohepta[b]pyrazine?
The IUPAC name of 6,6-dimethylcyclohepta[b]pyrazine (CID 89009892) is 6,6-dimethylcyclohepta[b]pyrazine.
What is the SMILES notation for 6,6-dimethylcyclohepta[b]pyrazine?
The canonical SMILES for 6,6-dimethylcyclohepta[b]pyrazine is CC1(C)C=CC=c2nccnc2=C1.
What is the InChIKey of 6,6-dimethylcyclohepta[b]pyrazine?
The InChIKey is UQVFJYDZKSBEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-11(2)5-3-4-9-10(8-11)13-7-6-12-9/h3-8H,1-2H3.
What are the key properties of 6,6-dimethylcyclohepta[b]pyrazine?
6,6-dimethylcyclohepta[b]pyrazine has a molecular weight of 172.23 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylcyclohepta[b]pyrazine is sourced from PubChem (CID 89009892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).