3-methyl-8,9-dihydropyrazino[1,2-a]azepine

C10H12N2 — CID 171094596

IUPAC3-methyl-8,9-dihydropyrazino[1,2-a]azepine
SMILESCC1=CN2C=CCCC=C2C=N1
InChIInChI=1S/C10H12N2/c1-9-8-12-6-4-2-3-5-10(12)7-11-9/h4-8H,2-3H2,1H3
InChIKeyNHQFHGOTUXLFJU-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.43
Rot. Bonds

About 3-methyl-8,9-dihydropyrazino[1,2-a]azepine

3-methyl-8,9-dihydropyrazino[1,2-a]azepine (PubChem CID 171094596) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-methyl-8,9-dihydropyrazino[1,2-a]azepine.

Molecular Properties

Compound Name3-methyl-8,9-dihydropyrazino[1,2-a]azepine
PubChem CID171094596
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-methyl-8,9-dihydropyrazino[1,2-a]azepine
SMILESCC1=CN2C=CCCC=C2C=N1
InChIInChI=1S/C10H12N2/c1-9-8-12-6-4-2-3-5-10(12)7-11-9/h4-8H,2-3H2,1H3
InChIKeyNHQFHGOTUXLFJU-UHFFFAOYSA-N
XLogP2.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,6Z)-7-(2-fluoroprop-2-enylideneamino)-N,N-dimethylhepta-2,6-dien-2-amine
CID 144331214
8H-pyrido[1,2-a]pyrazine
CID 13337709
(2S)-N,N,2-trimethyl-2,3-dihydropyridin-5-amine
CID 67991666
4,5-Dihydroazocin-7-yl-methylidene-propan-2-ylazanium
CID 91384019
8-Methyl-8,9-dihydropyrazino[1,2-a]azepine
CID 117656107
(2E)-3,5-dibromo-2-butylidene-1-[(Z)-prop-1-enyl]pyrazine
CID 118074678
1-ethyl-4H-azepin-1-ium
CID 123317816
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
7,8-Dimethyl-8,9-dihydropyrazino[1,2-a]azepine
CID 123899999
(2Z)-2-ethylidene-1-[(Z)-prop-1-enyl]pyrazine
CID 129213056
3-Methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene
CID 130242135

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8,9-dihydropyrazino[1,2-a]azepine?
The IUPAC name of 3-methyl-8,9-dihydropyrazino[1,2-a]azepine (CID 171094596) is 3-methyl-8,9-dihydropyrazino[1,2-a]azepine.
What is the SMILES notation for 3-methyl-8,9-dihydropyrazino[1,2-a]azepine?
The canonical SMILES for 3-methyl-8,9-dihydropyrazino[1,2-a]azepine is CC1=CN2C=CCCC=C2C=N1.
What is the InChIKey of 3-methyl-8,9-dihydropyrazino[1,2-a]azepine?
The InChIKey is NHQFHGOTUXLFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-9-8-12-6-4-2-3-5-10(12)7-11-9/h4-8H,2-3H2,1H3.
What are the key properties of 3-methyl-8,9-dihydropyrazino[1,2-a]azepine?
3-methyl-8,9-dihydropyrazino[1,2-a]azepine has a molecular weight of 160.22 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8,9-dihydropyrazino[1,2-a]azepine is sourced from PubChem (CID 171094596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).