5-tert-butylsulfanyl-6-phenylpyridazin-3-amine

C14H17N3S — CID 134913037

IUPAC5-tert-butylsulfanyl-6-phenylpyridazin-3-amine
SMILESCC(C)(C)Sc1cc(N)nnc1-c1ccccc1
InChIInChI=1S/C14H17N3S/c1-14(2,3)18-11-9-12(15)16-17-13(11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,16)
InChIKeyFUHYJBSRYQKVAL-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.62
Rot. Bonds2

About 5-tert-butylsulfanyl-6-phenylpyridazin-3-amine

5-tert-butylsulfanyl-6-phenylpyridazin-3-amine (PubChem CID 134913037) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 5-tert-butylsulfanyl-6-phenylpyridazin-3-amine.

Molecular Properties

Compound Name5-tert-butylsulfanyl-6-phenylpyridazin-3-amine
PubChem CID134913037
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name5-tert-butylsulfanyl-6-phenylpyridazin-3-amine
SMILESCC(C)(C)Sc1cc(N)nnc1-c1ccccc1
InChIInChI=1S/C14H17N3S/c1-14(2,3)18-11-9-12(15)16-17-13(11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,16)
InChIKeyFUHYJBSRYQKVAL-UHFFFAOYSA-N
XLogP3.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfanyl-6-phenylpyridazin-3-amine?
The IUPAC name of 5-tert-butylsulfanyl-6-phenylpyridazin-3-amine (CID 134913037) is 5-tert-butylsulfanyl-6-phenylpyridazin-3-amine.
What is the SMILES notation for 5-tert-butylsulfanyl-6-phenylpyridazin-3-amine?
The canonical SMILES for 5-tert-butylsulfanyl-6-phenylpyridazin-3-amine is CC(C)(C)Sc1cc(N)nnc1-c1ccccc1.
What is the InChIKey of 5-tert-butylsulfanyl-6-phenylpyridazin-3-amine?
The InChIKey is FUHYJBSRYQKVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-14(2,3)18-11-9-12(15)16-17-13(11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,16).
What are the key properties of 5-tert-butylsulfanyl-6-phenylpyridazin-3-amine?
5-tert-butylsulfanyl-6-phenylpyridazin-3-amine has a molecular weight of 259.38 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanyl-6-phenylpyridazin-3-amine is sourced from PubChem (CID 134913037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).