6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine

C13H15N3S — CID 134913036

IUPAC6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine
SMILESCC(C)Sc1cc(N)nnc1-c1ccccc1
InChIInChI=1S/C13H15N3S/c1-9(2)17-11-8-12(14)15-16-13(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,14,15)
InChIKeyFGZHMVCWGPBMAU-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.23
Rot. Bonds3

About 6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine

6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine (PubChem CID 134913036) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine.

Molecular Properties

Compound Name6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine
PubChem CID134913036
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine
SMILESCC(C)Sc1cc(N)nnc1-c1ccccc1
InChIInChI=1S/C13H15N3S/c1-9(2)17-11-8-12(14)15-16-13(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,14,15)
InChIKeyFGZHMVCWGPBMAU-UHFFFAOYSA-N
XLogP3.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Ethylthio)-6-(p-tolyl)pyridazine
CID 7205978
6-Phenylpyridazin-3-amine
CID 11958915
3-Pyridazinamine, 4-methyl-6-phenyl-, monohydrochloride
CID 6410668
5-Methyl-6-phenylpyridazin-3-amine
CID 13735348
3-Amino-4-methyl-6-phenylpyridazine
CID 603946
3-Pyridazinamine, 6-methyl-4-(methylthio)-
CID 6410622
3-Pyridazinamine, 4-(ethylthio)-6-methyl-
CID 6410623
3-Pyridazinamine, 4-(butylthio)-3-methyl-
CID 6410624
3-Pyridazinamine, 6-methyl-4-((phenylmethyl)thio)-
CID 6410626
3-(Ethylthio)-6-phenylpyridazine
CID 7205687
6-(Thiophen-3-yl)pyridazin-3-amine
CID 13735349
2-(6-Phenyl-pyridazin-3-ylsulfanyl)-acetamide
CID 3227982

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine?
The IUPAC name of 6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine (CID 134913036) is 6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine.
What is the SMILES notation for 6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine?
The canonical SMILES for 6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine is CC(C)Sc1cc(N)nnc1-c1ccccc1.
What is the InChIKey of 6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine?
The InChIKey is FGZHMVCWGPBMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9(2)17-11-8-12(14)15-16-13(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,14,15).
What are the key properties of 6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine?
6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine has a molecular weight of 245.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-propan-2-ylsulfanylpyridazin-3-amine is sourced from PubChem (CID 134913036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).