6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine

C17H23ClN4S — CID 91437750

IUPAC6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine
SMILESCc1cc(CN2CCC(CNc3ccc(Cl)nn3)CC2)sc1C
InChIInChI=1S/C17H23ClN4S/c1-12-9-15(23-13(12)2)11-22-7-5-14(6-8-22)10-19-17-4-3-16(18)20-21-17/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,19,21)
InChIKeyWORKMCYNXGQMLG-UHFFFAOYSA-N
MW350.92 g/mol
LogP4.13
Rot. Bonds5

About 6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine

6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine (PubChem CID 91437750) has the molecular formula C17H23ClN4S and a molecular weight of 350.92 g/mol. Its IUPAC name is 6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine
PubChem CID91437750
Molecular FormulaC17H23ClN4S
Molecular Weight350.92 g/mol
Exact Mass350.13
IUPAC Name6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine
SMILESCc1cc(CN2CCC(CNc3ccc(Cl)nn3)CC2)sc1C
InChIInChI=1S/C17H23ClN4S/c1-12-9-15(23-13(12)2)11-22-7-5-14(6-8-22)10-19-17-4-3-16(18)20-21-17/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,19,21)
InChIKeyWORKMCYNXGQMLG-UHFFFAOYSA-N
XLogP4.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine (CID 91437750) is 6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine is Cc1cc(CN2CCC(CNc3ccc(Cl)nn3)CC2)sc1C.
What is the InChIKey of 6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
The InChIKey is WORKMCYNXGQMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4S/c1-12-9-15(23-13(12)2)11-22-7-5-14(6-8-22)10-19-17-4-3-16(18)20-21-17/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of 6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine has a molecular weight of 350.92 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 91437750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).