N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine

C15H19N3S — CID 99807689

IUPACN-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine
SMILESCSc1ccc(N(C)C[C@H](C)c2ccccc2)nn1
InChIInChI=1S/C15H19N3S/c1-12(13-7-5-4-6-8-13)11-18(2)14-9-10-15(19-3)17-16-14/h4-10,12H,11H2,1-3H3/t12-/m0/s1
InChIKeyJCQKCQYRTANCQA-LBPRGKRZSA-N
MW273.41 g/mol
LogP3.44
Rot. Bonds5

About N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine

N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine (PubChem CID 99807689) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine
PubChem CID99807689
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine
SMILESCSc1ccc(N(C)C[C@H](C)c2ccccc2)nn1
InChIInChI=1S/C15H19N3S/c1-12(13-7-5-4-6-8-13)11-18(2)14-9-10-15(19-3)17-16-14/h4-10,12H,11H2,1-3H3/t12-/m0/s1
InChIKeyJCQKCQYRTANCQA-LBPRGKRZSA-N
XLogP3.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine?
The IUPAC name of N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine (CID 99807689) is N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine?
The canonical SMILES for N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine is CSc1ccc(N(C)C[C@H](C)c2ccccc2)nn1.
What is the InChIKey of N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine?
The InChIKey is JCQKCQYRTANCQA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12(13-7-5-4-6-8-13)11-18(2)14-9-10-15(19-3)17-16-14/h4-10,12H,11H2,1-3H3/t12-/m0/s1.
What are the key properties of N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine?
N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine has a molecular weight of 273.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylsulfanyl-N-[(2R)-2-phenylpropyl]pyridazin-3-amine is sourced from PubChem (CID 99807689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).