azepan-1-yl-(6-phenylpyridazin-3-yl)methanone

C17H19N3O — CID 113200597

IUPACazepan-1-yl-(6-phenylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)nn1)N1CCCCCC1
InChIInChI=1S/C17H19N3O/c21-17(20-12-6-1-2-7-13-20)16-11-10-15(18-19-16)14-8-4-3-5-9-14/h3-5,8-11H,1-2,6-7,12-13H2
InChIKeyPQUYIJMBBIVCES-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.16
Rot. Bonds2

About azepan-1-yl-(6-phenylpyridazin-3-yl)methanone

azepan-1-yl-(6-phenylpyridazin-3-yl)methanone (PubChem CID 113200597) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is azepan-1-yl-(6-phenylpyridazin-3-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(6-phenylpyridazin-3-yl)methanone
PubChem CID113200597
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Nameazepan-1-yl-(6-phenylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)nn1)N1CCCCCC1
InChIInChI=1S/C17H19N3O/c21-17(20-12-6-1-2-7-13-20)16-11-10-15(18-19-16)14-8-4-3-5-9-14/h3-5,8-11H,1-2,6-7,12-13H2
InChIKeyPQUYIJMBBIVCES-UHFFFAOYSA-N
XLogP3.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200594
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone
CID 113200325
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200585
[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50778603
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
[6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112719
CID 174081029
CID 174081029
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 744096
azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone
CID 71867029
N-cyclohexyl-6-phenylpyridazine-3-carboxamide
CID 113200519
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(6-phenylpyridazin-3-yl)methanone?
The IUPAC name of azepan-1-yl-(6-phenylpyridazin-3-yl)methanone (CID 113200597) is azepan-1-yl-(6-phenylpyridazin-3-yl)methanone.
What is the SMILES notation for azepan-1-yl-(6-phenylpyridazin-3-yl)methanone?
The canonical SMILES for azepan-1-yl-(6-phenylpyridazin-3-yl)methanone is O=C(c1ccc(-c2ccccc2)nn1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(6-phenylpyridazin-3-yl)methanone?
The InChIKey is PQUYIJMBBIVCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(20-12-6-1-2-7-13-20)16-11-10-15(18-19-16)14-8-4-3-5-9-14/h3-5,8-11H,1-2,6-7,12-13H2.
What are the key properties of azepan-1-yl-(6-phenylpyridazin-3-yl)methanone?
azepan-1-yl-(6-phenylpyridazin-3-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(6-phenylpyridazin-3-yl)methanone is sourced from PubChem (CID 113200597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).