7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine

C13H17ClN4S — CID 172542987

IUPAC7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine
SMILESCCN1CCCC(Nc2nnc(Cl)c3sccc23)C1
InChIInChI=1S/C13H17ClN4S/c1-2-18-6-3-4-9(8-18)15-13-10-5-7-19-11(10)12(14)16-17-13/h5,7,9H,2-4,6,8H2,1H3,(H,15,17)
InChIKeyAYSBLUZZXVXYQL-UHFFFAOYSA-N
MW296.83 g/mol
LogP3.24
Rot. Bonds3

About 7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine

7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine (PubChem CID 172542987) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is 7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine
PubChem CID172542987
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC Name7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine
SMILESCCN1CCCC(Nc2nnc(Cl)c3sccc23)C1
InChIInChI=1S/C13H17ClN4S/c1-2-18-6-3-4-9(8-18)15-13-10-5-7-19-11(10)12(14)16-17-13/h5,7,9H,2-4,6,8H2,1H3,(H,15,17)
InChIKeyAYSBLUZZXVXYQL-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127
1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171830814
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80800762
5-chloro-2-[8-[(1-ethylpiperidin-3-yl)amino]imidazo[1,2-d][1,2,4]triazin-5-yl]-4-methylphenol
CID 177182518
2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine
CID 12703204
4-N-(1-ethylpiperidin-3-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326015
3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 113413667
3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
CID 103078216
6,8-dichloro-2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine
CID 12703265
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine?
The IUPAC name of 7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine (CID 172542987) is 7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine.
What is the SMILES notation for 7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine?
The canonical SMILES for 7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine is CCN1CCCC(Nc2nnc(Cl)c3sccc23)C1.
What is the InChIKey of 7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine?
The InChIKey is AYSBLUZZXVXYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c1-2-18-6-3-4-9(8-18)15-13-10-5-7-19-11(10)12(14)16-17-13/h5,7,9H,2-4,6,8H2,1H3,(H,15,17).
What are the key properties of 7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine?
7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine has a molecular weight of 296.83 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine is sourced from PubChem (CID 172542987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).