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

C12H15ClN2 — CID 123600083

IUPAC2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCCC1=CC(C)CC=C2C=CC(Cl)=NN21
InChIInChI=1S/C12H15ClN2/c1-3-10-8-9(2)4-5-11-6-7-12(13)14-15(10)11/h5-9H,3-4H2,1-2H3
InChIKeyDCCUFVDNWAWICZ-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.63
Rot. Bonds1

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

2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (PubChem CID 123600083) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.

Molecular Properties

Compound Name2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
PubChem CID123600083
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCCC1=CC(C)CC=C2C=CC(Cl)=NN21
InChIInChI=1S/C12H15ClN2/c1-3-10-8-9(2)4-5-11-6-7-12(13)14-15(10)11/h5-9H,3-4H2,1-2H3
InChIKeyDCCUFVDNWAWICZ-UHFFFAOYSA-N
XLogP3.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.63
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
3-Chloro-6-methylidene-1-pent-2-en-2-ylpyridazine
CID 123504879
2-Chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123682772
4-Bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123753929
(Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine
CID 129081844
1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine
CID 146476114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The IUPAC name of 2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (CID 123600083) is 2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.
What is the SMILES notation for 2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The canonical SMILES for 2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is CCC1=CC(C)CC=C2C=CC(Cl)=NN21.
What is the InChIKey of 2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The InChIKey is DCCUFVDNWAWICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-3-10-8-9(2)4-5-11-6-7-12(13)14-15(10)11/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine has a molecular weight of 222.72 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is sourced from PubChem (CID 123600083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).