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

C14H20N2 — CID 123207419

IUPAC9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCCC1=CC(C)CC=C2C(C)=CC(C)=NN12
InChIInChI=1S/C14H20N2/c1-5-13-8-10(2)6-7-14-11(3)9-12(4)15-16(13)14/h7-10H,5-6H2,1-4H3
InChIKeyLJPLRLQBLHTFRF-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.84
Rot. Bonds1

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

9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine (PubChem CID 123207419) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine.

Molecular Properties

Compound Name9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
PubChem CID123207419
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCCC1=CC(C)CC=C2C(C)=CC(C)=NN12
InChIInChI=1S/C14H20N2/c1-5-13-8-10(2)6-7-14-11(3)9-12(4)15-16(13)14/h7-10H,5-6H2,1-4H3
InChIKeyLJPLRLQBLHTFRF-UHFFFAOYSA-N
XLogP3.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123151666
1-(5-Methylhept-3-en-3-yl)-6-methylidenepyridazine
CID 123569581
2-Chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123600083
2-Bromo-9-ethyl-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123958898
(6Z)-1-methyl-3-propan-2-yl-6-propylidenepyridazine
CID 170206730
1-Ethyl-6-methylidene-5-propan-2-ylpyridazine
CID 178099265
3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine
CID 143419229
1,5-Dimethyl-6-methylidene-3-propan-2-ylpyridazine
CID 167653324

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine?
The IUPAC name of 9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine (CID 123207419) is 9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine.
What is the SMILES notation for 9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine?
The canonical SMILES for 9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine is CCC1=CC(C)CC=C2C(C)=CC(C)=NN12.
What is the InChIKey of 9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine?
The InChIKey is LJPLRLQBLHTFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-13-8-10(2)6-7-14-11(3)9-12(4)15-16(13)14/h7-10H,5-6H2,1-4H3.
What are the key properties of 9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine?
9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine has a molecular weight of 216.33 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine is sourced from PubChem (CID 123207419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).