2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one

C19H23N3O3 — CID 126934402

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C19H23N3O3/c23-19-2-1-9-21-22(19)16-6-4-15(5-7-16)20-13-14-3-8-17-18(12-14)25-11-10-24-17/h1-3,8-9,12,15-16,20H,4-7,10-11,13H2
InChIKeyAUMNILBEEAQNBD-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.29
Rot. Bonds4

About 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126934402) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one
PubChem CID126934402
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C19H23N3O3/c23-19-2-1-9-21-22(19)16-6-4-15(5-7-16)20-13-14-3-8-17-18(12-14)25-11-10-24-17/h1-3,8-9,12,15-16,20H,4-7,10-11,13H2
InChIKeyAUMNILBEEAQNBD-UHFFFAOYSA-N
XLogP2.29
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937019
2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934442
2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934433
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one
CID 24866869
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide
CID 43766812
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501654
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940514
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one
CID 59398270
benzyl-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)pyrrolidin-1-yl]carbamic acid
CID 68745925
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyrazol-1-ylcyclohexyl)urea
CID 126851744

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one (CID 126934402) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one is O=c1cccnn1C1CCC(NCc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is AUMNILBEEAQNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19-2-1-9-21-22(19)16-6-4-15(5-7-16)20-13-14-3-8-17-18(12-14)25-11-10-24-17/h1-3,8-9,12,15-16,20H,4-7,10-11,13H2.
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one?
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 341.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).