N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine

C17H22N4S — CID 14458433

IUPACN',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1cc2c(nn1)-c1ccccc1SC2
InChIInChI=1S/C17H22N4S/c1-3-21(4-2)10-9-18-16-11-13-12-22-15-8-6-5-7-14(15)17(13)20-19-16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,18,19)
InChIKeyJSEDUMHEZXPXJM-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.50
Rot. Bonds6

About N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine

N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine (PubChem CID 14458433) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine
PubChem CID14458433
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC NameN',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1cc2c(nn1)-c1ccccc1SC2
InChIInChI=1S/C17H22N4S/c1-3-21(4-2)10-9-18-16-11-13-12-22-15-8-6-5-7-14(15)17(13)20-19-16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,18,19)
InChIKeyJSEDUMHEZXPXJM-UHFFFAOYSA-N
XLogP3.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine (CID 14458433) is N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine is CCN(CC)CCNc1cc2c(nn1)-c1ccccc1SC2.
What is the InChIKey of N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine?
The InChIKey is JSEDUMHEZXPXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S/c1-3-21(4-2)10-9-18-16-11-13-12-22-15-8-6-5-7-14(15)17(13)20-19-16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine has a molecular weight of 314.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(5H-thiochromeno[4,3-c]pyridazin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 14458433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).