5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine

C13H15N3O2S — CID 106549687

IUPAC5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine
SMILESCc1cnnc(NCc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C13H15N3O2S/c1-10-7-13(16-15-8-10)14-9-11-3-5-12(6-4-11)19(2,17)18/h3-8H,9H2,1-2H3,(H,14,16)
InChIKeyAYGDPHAZTJJCEX-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.80
Rot. Bonds4

About 5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine

5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine (PubChem CID 106549687) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine
PubChem CID106549687
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine
SMILESCc1cnnc(NCc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C13H15N3O2S/c1-10-7-13(16-15-8-10)14-9-11-3-5-12(6-4-11)19(2,17)18/h3-8H,9H2,1-2H3,(H,14,16)
InChIKeyAYGDPHAZTJJCEX-UHFFFAOYSA-N
XLogP1.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine (CID 106549687) is 5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine is Cc1cnnc(NCc2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine?
The InChIKey is AYGDPHAZTJJCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-7-13(16-15-8-10)14-9-11-3-5-12(6-4-11)19(2,17)18/h3-8H,9H2,1-2H3,(H,14,16).
What are the key properties of 5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine?
5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine has a molecular weight of 277.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 106549687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).