1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one

C13H22N4O — CID 91180848

IUPAC1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(CC2=CCCN=N2)CCCC1C
InChIInChI=1S/C13H22N4O/c1-10-5-4-8-17(13(18)12(10)14-2)9-11-6-3-7-15-16-11/h6,10,12,14H,3-5,7-9H2,1-2H3
InChIKeyYZVVJGGBRNSAMH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.57
Rot. Bonds3

About 1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one

1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one (PubChem CID 91180848) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one
PubChem CID91180848
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(CC2=CCCN=N2)CCCC1C
InChIInChI=1S/C13H22N4O/c1-10-5-4-8-17(13(18)12(10)14-2)9-11-6-3-7-15-16-11/h6,10,12,14H,3-5,7-9H2,1-2H3
InChIKeyYZVVJGGBRNSAMH-UHFFFAOYSA-N
XLogP1.57
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one
CID 20589961
4-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one
CID 20589966
1-(1H-imidazol-5-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one
CID 59734957
4-methyl-3-(methylamino)-1-propylazepan-2-one
CID 20589964
4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one
CID 20589951
1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one
CID 22984652
1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one
CID 22984790
1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one
CID 64695618
5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 104680451
1-[(3,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258782
1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one
CID 104680386
7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one
CID 20590296

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one (CID 91180848) is 1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one is CNC1C(=O)N(CC2=CCCN=N2)CCCC1C.
What is the InChIKey of 1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
The InChIKey is YZVVJGGBRNSAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-5-4-8-17(13(18)12(10)14-2)9-11-6-3-7-15-16-11/h6,10,12,14H,3-5,7-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridazin-6-ylmethyl)-4-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 91180848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).