6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine

C9H14ClN3S — CID 112663158

IUPAC6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine
SMILESCSCC(C)N(C)c1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3S/c1-7(6-14-3)13(2)9-5-4-8(10)11-12-9/h4-5,7H,6H2,1-3H3
InChIKeyYKILHJOBKSLNMS-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.32
Rot. Bonds4

About 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine

6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine (PubChem CID 112663158) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine
PubChem CID112663158
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine
SMILESCSCC(C)N(C)c1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3S/c1-7(6-14-3)13(2)9-5-4-8(10)11-12-9/h4-5,7H,6H2,1-3H3
InChIKeyYKILHJOBKSLNMS-UHFFFAOYSA-N
XLogP2.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine (CID 112663158) is 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine is CSCC(C)N(C)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine?
The InChIKey is YKILHJOBKSLNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-7(6-14-3)13(2)9-5-4-8(10)11-12-9/h4-5,7H,6H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine?
6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine has a molecular weight of 231.75 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 112663158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).