2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine

C11H13BrN2 — CID 123488140

IUPAC2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCC1=CC(Br)=NN2C=CC(C)CC=C12
InChIInChI=1S/C11H13BrN2/c1-8-3-4-10-9(2)7-11(12)13-14(10)6-5-8/h4-8H,3H2,1-2H3
InChIKeyGLWUKKKIDHHKMD-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.39
Rot. Bonds

About 2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine

2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine (PubChem CID 123488140) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine.

Molecular Properties

Compound Name2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
PubChem CID123488140
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCC1=CC(Br)=NN2C=CC(C)CC=C12
InChIInChI=1S/C11H13BrN2/c1-8-3-4-10-9(2)7-11(12)13-14(10)6-5-8/h4-8H,3H2,1-2H3
InChIKeyGLWUKKKIDHHKMD-UHFFFAOYSA-N
XLogP3.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 90152352
3,6-Dimethyl-3,4-dihydropyrido[1,2-b]diazepine
CID 123184632
4-Bromo-2,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123320471
2-Chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123682772
2-Bromo-9-ethyl-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123958898
9-Bromo-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 146476136
2-Chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 153383115
(6Z)-1-ethenyl-5-propan-2-yl-6-propylidenepyridazine
CID 156163821
(6Z)-1-ethenyl-5-propan-2-yl-6-prop-2-enylidenepyridazine
CID 156418578
(6Z)-1-ethenyl-6-ethylidene-5-propan-2-ylpyridazine
CID 166489767
N-(2-methylidene-5-propan-2-yl-1-pyridinyl)propan-2-imine
CID 169851119
ethene;(6Z)-6-ethylidene-1-methyl-5-propan-2-ylpyridazine
CID 172576079

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine?
The IUPAC name of 2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine (CID 123488140) is 2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine.
What is the SMILES notation for 2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine?
The canonical SMILES for 2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine is CC1=CC(Br)=NN2C=CC(C)CC=C12.
What is the InChIKey of 2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine?
The InChIKey is GLWUKKKIDHHKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-8-3-4-10-9(2)7-11(12)13-14(10)6-5-8/h4-8H,3H2,1-2H3.
What are the key properties of 2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine?
2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine has a molecular weight of 253.14 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine is sourced from PubChem (CID 123488140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).