N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine

C15H19N3S — CID 133345382

IUPACN-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine
SMILESCSc1ccc(NC(c2ccccc2)C(C)C)nn1
InChIInChI=1S/C15H19N3S/c1-11(2)15(12-7-5-4-6-8-12)16-13-9-10-14(19-3)18-17-13/h4-11,15H,1-3H3,(H,16,17)
InChIKeyPIIANCKRJPEDSC-UHFFFAOYSA-N
MW273.41 g/mol
LogP4.01
Rot. Bonds5

About N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine

N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine (PubChem CID 133345382) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine
PubChem CID133345382
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine
SMILESCSc1ccc(NC(c2ccccc2)C(C)C)nn1
InChIInChI=1S/C15H19N3S/c1-11(2)15(12-7-5-4-6-8-12)16-13-9-10-14(19-3)18-17-13/h4-11,15H,1-3H3,(H,16,17)
InChIKeyPIIANCKRJPEDSC-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine (CID 133345382) is N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine is CSc1ccc(NC(c2ccccc2)C(C)C)nn1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine?
The InChIKey is PIIANCKRJPEDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11(2)15(12-7-5-4-6-8-12)16-13-9-10-14(19-3)18-17-13/h4-11,15H,1-3H3,(H,16,17).
What are the key properties of N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine?
N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine has a molecular weight of 273.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-6-methylsulfanylpyridazin-3-amine is sourced from PubChem (CID 133345382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).