N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine

C17H20N4O2 — CID 167787147

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine
SMILESCN1CCc2nnc(NCc3cccc4c3OCCO4)cc2C1
InChIInChI=1S/C17H20N4O2/c1-21-6-5-14-13(11-21)9-16(20-19-14)18-10-12-3-2-4-15-17(12)23-8-7-22-15/h2-4,9H,5-8,10-11H2,1H3,(H,18,20)
InChIKeyAGPWARJBGRMDCD-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.85
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine (PubChem CID 167787147) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine
PubChem CID167787147
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine
SMILESCN1CCc2nnc(NCc3cccc4c3OCCO4)cc2C1
InChIInChI=1S/C17H20N4O2/c1-21-6-5-14-13(11-21)9-16(20-19-14)18-10-12-3-2-4-15-17(12)23-8-7-22-15/h2-4,9H,5-8,10-11H2,1H3,(H,18,20)
InChIKeyAGPWARJBGRMDCD-UHFFFAOYSA-N
XLogP1.85
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine (CID 167787147) is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine is CN1CCc2nnc(NCc3cccc4c3OCCO4)cc2C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
The InChIKey is AGPWARJBGRMDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21-6-5-14-13(11-21)9-16(20-19-14)18-10-12-3-2-4-15-17(12)23-8-7-22-15/h2-4,9H,5-8,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine has a molecular weight of 312.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 167787147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).