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

C13H17ClN2 — CID 146757660

IUPAC8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCCCC1=NN2C=C(Cl)C(C)CC=C2C=C1
InChIInChI=1S/C13H17ClN2/c1-3-4-11-6-8-12-7-5-10(2)13(14)9-16(12)15-11/h6-10H,3-5H2,1-2H3
InChIKeyRORZBAFFTPNEMY-UHFFFAOYSA-N
MW236.75 g/mol
LogP4.02
Rot. Bonds2

About 8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine

8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine (PubChem CID 146757660) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine.

Molecular Properties

Compound Name8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine
PubChem CID146757660
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCCCC1=NN2C=C(Cl)C(C)CC=C2C=C1
InChIInChI=1S/C13H17ClN2/c1-3-4-11-6-8-12-7-5-10(2)13(14)9-16(12)15-11/h6-10H,3-5H2,1-2H3
InChIKeyRORZBAFFTPNEMY-UHFFFAOYSA-N
XLogP4.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine
CID 89088583
2-Chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123682772
2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine
CID 123884752
6-ethenyl-3-propan-2-yl-1-[(Z)-prop-1-enyl]-4H-pyridazine
CID 134286518
2-Chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 153383115
(6Z)-1-methyl-3-propan-2-yl-6-propylidenepyridazine
CID 170206730
6-methylidene-1-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazine
CID 174246566
3-cyclopropyl-1-[(E)-2-methylbut-1-enyl]-6-methylidenepyridazine
CID 175616049
butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine
CID 177019891
(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine
CID 177019892

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine?
The IUPAC name of 8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine (CID 146757660) is 8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine.
What is the SMILES notation for 8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine?
The canonical SMILES for 8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine is CCCC1=NN2C=C(Cl)C(C)CC=C2C=C1.
What is the InChIKey of 8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine?
The InChIKey is RORZBAFFTPNEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-3-4-11-6-8-12-7-5-10(2)13(14)9-16(12)15-11/h6-10H,3-5H2,1-2H3.
What are the key properties of 8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine?
8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine has a molecular weight of 236.75 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine is sourced from PubChem (CID 146757660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).