azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone

C15H24N4O — CID 109124285

IUPACazepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCCCCC2)nn1
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)14-10-9-13(16-17-14)15(20)19-11-7-5-6-8-12-19/h9-10H,3-8,11-12H2,1-2H3
InChIKeyJCCMYDLOYQSVFI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds4

About azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone

azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone (PubChem CID 109124285) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone
PubChem CID109124285
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Nameazepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCCCCC2)nn1
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)14-10-9-13(16-17-14)15(20)19-11-7-5-6-8-12-19/h9-10H,3-8,11-12H2,1-2H3
InChIKeyJCCMYDLOYQSVFI-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[Cyclobutyl(methyl)amino]pyridazine-3-carboxamide
CID 75377045
2-Cyclopent-2-en-1-yl-1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]ethanone
CID 53571971
[6-(Dimethylamino)pyridazin-3-yl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 53579751
[4-(2-Hydroxypropyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 53625217
[6-(Dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56802679
[6-(Dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 56803209
6-(pyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 71778507
[6-(Dimethylamino)pyridazin-3-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 72139701
6-[cyclobutyl(methyl)amino]-N-methylpyridazine-3-carboxamide
CID 75375755
6-[8-(2,2,2-Trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazine-3-carboxamide
CID 134789799
6-amino-N,N-dimethylpyridazine-3-carboxamide
CID 62154837
N-methyl-6-(piperazin-1-yl)pyridazine-3-carboxamide dihydrochloride
CID 165943092

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone (CID 109124285) is azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone is CCN(CC)c1ccc(C(=O)N2CCCCCC2)nn1.
What is the InChIKey of azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone?
The InChIKey is JCCMYDLOYQSVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-18(4-2)14-10-9-13(16-17-14)15(20)19-11-7-5-6-8-12-19/h9-10H,3-8,11-12H2,1-2H3.
What are the key properties of azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone?
azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109124285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).