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

C10H11ClN2 — CID 123682772

IUPAC2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCC1C=CN2N=C(Cl)C=CC2=CC1
InChIInChI=1S/C10H11ClN2/c1-8-2-3-9-4-5-10(11)12-13(9)7-6-8/h3-8H,2H2,1H3
InChIKeyIMCRLUVFKOZXLM-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.85
Rot. Bonds

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

2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (PubChem CID 123682772) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.

Molecular Properties

Compound Name2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
PubChem CID123682772
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCC1C=CN2N=C(Cl)C=CC2=CC1
InChIInChI=1S/C10H11ClN2/c1-8-2-3-9-4-5-10(11)12-13(9)7-6-8/h3-8H,2H2,1H3
InChIKeyIMCRLUVFKOZXLM-UHFFFAOYSA-N
XLogP2.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-6-methylidene-3-propan-2-ylpyridazine
CID 58334537
1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine
CID 89088583
4-Bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 90152352
3-Methyl-3,4-dihydropyrido[1,2-b]diazepine
CID 117711234
9-Bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123232977
4-Bromo-2,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123320471
2-Bromo-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123488140
2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine
CID 123565472
2-Chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123600083
3-chloro-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazine;ethane
CID 144433308
8-Chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine
CID 146757660
2-Chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 153383115

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The IUPAC name of 2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (CID 123682772) is 2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.
What is the SMILES notation for 2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The canonical SMILES for 2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is CC1C=CN2N=C(Cl)C=CC2=CC1.
What is the InChIKey of 2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The InChIKey is IMCRLUVFKOZXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-8-2-3-9-4-5-10(11)12-13(9)7-6-8/h3-8H,2H2,1H3.
What are the key properties of 2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine has a molecular weight of 194.66 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is sourced from PubChem (CID 123682772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).