6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine

C17H15N3O2S — CID 6411214

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine
SMILESc1csc(CNc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1
InChIInChI=1S/C17H15N3O2S/c1-2-13(23-9-1)11-18-17-6-4-14(19-20-17)12-3-5-15-16(10-12)22-8-7-21-15/h1-6,9-10H,7-8,11H2,(H,18,20)
InChIKeyDPSRLDLKSYUSFR-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.59
Rot. Bonds4

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine (PubChem CID 6411214) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine
PubChem CID6411214
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine
SMILESc1csc(CNc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1
InChIInChI=1S/C17H15N3O2S/c1-2-13(23-9-1)11-18-17-6-4-14(19-20-17)12-3-5-15-16(10-12)22-8-7-21-15/h1-6,9-10H,7-8,11H2,(H,18,20)
InChIKeyDPSRLDLKSYUSFR-UHFFFAOYSA-N
XLogP3.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpyridazin-3-amine
CID 104544803
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050307
N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970422
2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile
CID 116971877
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113041829
N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 34750200
6-cyclohexylsulfonyl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 53073262
3-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridazine
CID 43583883
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970173
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211958
6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine
CID 11026115
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 2814708

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine (CID 6411214) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine is c1csc(CNc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The InChIKey is DPSRLDLKSYUSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-2-13(23-9-1)11-18-17-6-4-14(19-20-17)12-3-5-15-16(10-12)22-8-7-21-15/h1-6,9-10H,7-8,11H2,(H,18,20).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine has a molecular weight of 325.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 6411214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).