6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine

C13H15N3S — CID 137380286

IUPAC6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine
SMILESCN(C)c1cnnc(SCc2ccccc2)c1
InChIInChI=1S/C13H15N3S/c1-16(2)12-8-13(15-14-9-12)17-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyYZMAXHXVMNSSJC-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.83
Rot. Bonds4

About 6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine

6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine (PubChem CID 137380286) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine.

Molecular Properties

Compound Name6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine
PubChem CID137380286
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine
SMILESCN(C)c1cnnc(SCc2ccccc2)c1
InChIInChI=1S/C13H15N3S/c1-16(2)12-8-13(15-14-9-12)17-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyYZMAXHXVMNSSJC-UHFFFAOYSA-N
XLogP2.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine?
The IUPAC name of 6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine (CID 137380286) is 6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine.
What is the SMILES notation for 6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine?
The canonical SMILES for 6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine is CN(C)c1cnnc(SCc2ccccc2)c1.
What is the InChIKey of 6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine?
The InChIKey is YZMAXHXVMNSSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-16(2)12-8-13(15-14-9-12)17-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine?
6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-N,N-dimethylpyridazin-4-amine is sourced from PubChem (CID 137380286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).