2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine

C12H15ClN2 — CID 153383115

IUPAC2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCC1=CC(Cl)=NN2C=C(C)C(C)CC=C12
InChIInChI=1S/C12H15ClN2/c1-8-4-5-11-9(2)6-12(13)14-15(11)7-10(8)3/h5-8H,4H2,1-3H3
InChIKeyBECNZLOIKKOLEK-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.63
Rot. Bonds

About 2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine

2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine (PubChem CID 153383115) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine.

Molecular Properties

Compound Name2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
PubChem CID153383115
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCC1=CC(Cl)=NN2C=C(C)C(C)CC=C12
InChIInChI=1S/C12H15ClN2/c1-8-4-5-11-9(2)6-12(13)14-15(11)7-10(8)3/h5-8H,4H2,1-3H3
InChIKeyBECNZLOIKKOLEK-UHFFFAOYSA-N
XLogP3.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine?
The IUPAC name of 2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine (CID 153383115) is 2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine.
What is the SMILES notation for 2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine?
The canonical SMILES for 2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine is CC1=CC(Cl)=NN2C=C(C)C(C)CC=C12.
What is the InChIKey of 2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine?
The InChIKey is BECNZLOIKKOLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-4-5-11-9(2)6-12(13)14-15(11)7-10(8)3/h5-8H,4H2,1-3H3.
What are the key properties of 2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine?
2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine has a molecular weight of 222.72 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine is sourced from PubChem (CID 153383115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).