7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine

C11H14N2 — CID 123899999

IUPAC7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine
SMILESCC1=CN2C=CN=CC2=CCC1C
InChIInChI=1S/C11H14N2/c1-9-3-4-11-7-12-5-6-13(11)8-10(9)2/h4-9H,3H2,1-2H3
InChIKeyRAGZFQDPHLOQLZ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.67
Rot. Bonds

About 7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine

7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine (PubChem CID 123899999) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine.

Molecular Properties

Compound Name7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine
PubChem CID123899999
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine
SMILESCC1=CN2C=CN=CC2=CCC1C
InChIInChI=1S/C11H14N2/c1-9-3-4-11-7-12-5-6-13(11)8-10(9)2/h4-9H,3H2,1-2H3
InChIKeyRAGZFQDPHLOQLZ-UHFFFAOYSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methyl-8,9-dihydropyrazino[1,2-a]azepine
CID 117656107
3-Bromo-8-methyl-8,9-dihydropyrazino[1,2-a]azepine
CID 123704078
6-Ethynyl-8-methyl-8,9-dihydropyrazino[1,2-a]azepine
CID 123890112
3-Methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene
CID 130242135
4-[(Z)-but-2-enyl]-5-methyl-4H-azepin-6-amine
CID 138600426
7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine
CID 145299578
(2Z)-2-butylidene-1-ethenyl-5-propan-2-ylpyrazine
CID 168257582
(2Z)-1-ethenyl-5-propan-2-yl-2-propylidenepyrazine
CID 168257678
3-Methyl-8,9-dihydropyrazino[1,2-a]azepine
CID 171094596
(2E)-N-ethenyl-2-(3-methylpentan-2-ylidene)pyridin-3-imine
CID 144383484

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine?
The IUPAC name of 7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine (CID 123899999) is 7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine.
What is the SMILES notation for 7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine?
The canonical SMILES for 7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine is CC1=CN2C=CN=CC2=CCC1C.
What is the InChIKey of 7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine?
The InChIKey is RAGZFQDPHLOQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-3-4-11-7-12-5-6-13(11)8-10(9)2/h4-9H,3H2,1-2H3.
What are the key properties of 7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine?
7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine has a molecular weight of 174.25 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-8,9-dihydropyrazino[1,2-a]azepine is sourced from PubChem (CID 123899999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).