2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine

C12H14Br2N2 — CID 123151666

IUPAC2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCCC1=CC(C)CC=C2C(Br)=CC(Br)=NN12
InChIInChI=1S/C12H14Br2N2/c1-3-9-6-8(2)4-5-11-10(13)7-12(14)15-16(9)11/h5-8H,3-4H2,1-2H3
InChIKeyFMWKAFBMGUWQMK-UHFFFAOYSA-N
MW346.07 g/mol
LogP4.51
Rot. Bonds1

About 2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine

2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (PubChem CID 123151666) has the molecular formula C12H14Br2N2 and a molecular weight of 346.07 g/mol. Its IUPAC name is 2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.

Molecular Properties

Compound Name2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
PubChem CID123151666
Molecular FormulaC12H14Br2N2
Molecular Weight346.07 g/mol
Exact Mass343.95
IUPAC Name2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCCC1=CC(C)CC=C2C(Br)=CC(Br)=NN12
InChIInChI=1S/C12H14Br2N2/c1-3-9-6-8(2)4-5-11-10(13)7-12(14)15-16(9)11/h5-8H,3-4H2,1-2H3
InChIKeyFMWKAFBMGUWQMK-UHFFFAOYSA-N
XLogP4.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.07
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-Ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123207419
9-Bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123232977
4-Bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123753929
2-Bromo-9-ethyl-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123958898
2-Bromo-9-ethyl-7-methyl-4-methylsulfanyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123968307

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The IUPAC name of 2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (CID 123151666) is 2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.
What is the SMILES notation for 2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The canonical SMILES for 2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is CCC1=CC(C)CC=C2C(Br)=CC(Br)=NN12.
What is the InChIKey of 2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The InChIKey is FMWKAFBMGUWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2/c1-3-9-6-8(2)4-5-11-10(13)7-12(14)15-16(9)11/h5-8H,3-4H2,1-2H3.
What are the key properties of 2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine has a molecular weight of 346.07 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is sourced from PubChem (CID 123151666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).