ethane;6-methyl-8H-cyclohepta[b]pyrazine

C14H22N2 — CID 143256753

IUPACethane;6-methyl-8H-cyclohepta[b]pyrazine
SMILESCC.CC.CC1=CCC=c2nccnc2=C1
InChIInChI=1S/C10H10N2.2C2H6/c1-8-3-2-4-9-10(7-8)12-6-5-11-9;2*1-2/h3-7H,2H2,1H3;2*1-2H3
InChIKeyLTWYISVLJVQRJW-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.44
Rot. Bonds

About ethane;6-methyl-8H-cyclohepta[b]pyrazine

ethane;6-methyl-8H-cyclohepta[b]pyrazine (PubChem CID 143256753) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;6-methyl-8H-cyclohepta[b]pyrazine.

Molecular Properties

Compound Nameethane;6-methyl-8H-cyclohepta[b]pyrazine
PubChem CID143256753
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Nameethane;6-methyl-8H-cyclohepta[b]pyrazine
SMILESCC.CC.CC1=CCC=c2nccnc2=C1
InChIInChI=1S/C10H10N2.2C2H6/c1-8-3-2-4-9-10(7-8)12-6-5-11-9;2*1-2/h3-7H,2H2,1H3;2*1-2H3
InChIKeyLTWYISVLJVQRJW-UHFFFAOYSA-N
XLogP2.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 163986819
N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine
CID 142913217
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
6-(3,4-Dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine
CID 57159616
5-methyl-6H-cyclopenta[b]pyrazine
CID 59467405
(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
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

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-8H-cyclohepta[b]pyrazine?
The IUPAC name of ethane;6-methyl-8H-cyclohepta[b]pyrazine (CID 143256753) is ethane;6-methyl-8H-cyclohepta[b]pyrazine.
What is the SMILES notation for ethane;6-methyl-8H-cyclohepta[b]pyrazine?
The canonical SMILES for ethane;6-methyl-8H-cyclohepta[b]pyrazine is CC.CC.CC1=CCC=c2nccnc2=C1.
What is the InChIKey of ethane;6-methyl-8H-cyclohepta[b]pyrazine?
The InChIKey is LTWYISVLJVQRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.2C2H6/c1-8-3-2-4-9-10(7-8)12-6-5-11-9;2*1-2/h3-7H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;6-methyl-8H-cyclohepta[b]pyrazine?
ethane;6-methyl-8H-cyclohepta[b]pyrazine has a molecular weight of 218.34 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-8H-cyclohepta[b]pyrazine is sourced from PubChem (CID 143256753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).