6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride

C12H14Cl2N4S — CID 169287863

IUPAC6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride
SMILESCl.Clc1ccc(NCc2csc3c2CCNC3)nn1
InChIInChI=1S/C12H13ClN4S.ClH/c13-11-1-2-12(17-16-11)15-5-8-7-18-10-6-14-4-3-9(8)10;/h1-2,7,14H,3-6H2,(H,15,17);1H
InChIKeyHWFADLAZIMRRPR-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.87
Rot. Bonds3

About 6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride

6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride (PubChem CID 169287863) has the molecular formula C12H14Cl2N4S and a molecular weight of 317.25 g/mol. Its IUPAC name is 6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride
PubChem CID169287863
Molecular FormulaC12H14Cl2N4S
Molecular Weight317.25 g/mol
Exact Mass316.03
IUPAC Name6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride
SMILESCl.Clc1ccc(NCc2csc3c2CCNC3)nn1
InChIInChI=1S/C12H13ClN4S.ClH/c13-11-1-2-12(17-16-11)15-5-8-7-18-10-6-14-4-3-9(8)10;/h1-2,7,14H,3-6H2,(H,15,17);1H
InChIKeyHWFADLAZIMRRPR-UHFFFAOYSA-N
XLogP2.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride?
The IUPAC name of 6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride (CID 169287863) is 6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride?
The canonical SMILES for 6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride is Cl.Clc1ccc(NCc2csc3c2CCNC3)nn1.
What is the InChIKey of 6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride?
The InChIKey is HWFADLAZIMRRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S.ClH/c13-11-1-2-12(17-16-11)15-5-8-7-18-10-6-14-4-3-9(8)10;/h1-2,7,14H,3-6H2,(H,15,17);1H.
What are the key properties of 6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride?
6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride has a molecular weight of 317.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-ylmethyl)pyridazin-3-amine;hydrochloride is sourced from PubChem (CID 169287863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).