6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine

C10H16ClN3O2S — CID 64644414

IUPAC6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NC(C)CS(C)(=O)=O)c1C
InChIInChI=1S/C10H16ClN3O2S/c1-6(5-17(4,15)16)12-10-8(3)7(2)9(11)13-14-10/h6H,5H2,1-4H3,(H,12,14)
InChIKeyKHIDMTCHPOGAMH-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.59
Rot. Bonds4

About 6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine

6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine (PubChem CID 64644414) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine
PubChem CID64644414
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NC(C)CS(C)(=O)=O)c1C
InChIInChI=1S/C10H16ClN3O2S/c1-6(5-17(4,15)16)12-10-8(3)7(2)9(11)13-14-10/h6H,5H2,1-4H3,(H,12,14)
InChIKeyKHIDMTCHPOGAMH-UHFFFAOYSA-N
XLogP1.59
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine (CID 64644414) is 6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine is Cc1c(Cl)nnc(NC(C)CS(C)(=O)=O)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine?
The InChIKey is KHIDMTCHPOGAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-6(5-17(4,15)16)12-10-8(3)7(2)9(11)13-14-10/h6H,5H2,1-4H3,(H,12,14).
What are the key properties of 6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine has a molecular weight of 277.78 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 64644414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).