[3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine

C8H8N4OS — CID 106923672

IUPAC[3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1Sc1ncco1
InChIInChI=1S/C8H8N4OS/c9-5-6-1-2-11-12-7(6)14-8-10-3-4-13-8/h1-4H,5,9H2
InChIKeyKZQIBDOAJYVLPU-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.07
Rot. Bonds3

About [3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine

[3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine (PubChem CID 106923672) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is [3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine
PubChem CID106923672
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name[3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1Sc1ncco1
InChIInChI=1S/C8H8N4OS/c9-5-6-1-2-11-12-7(6)14-8-10-3-4-13-8/h1-4H,5,9H2
InChIKeyKZQIBDOAJYVLPU-UHFFFAOYSA-N
XLogP1.07
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine?
The IUPAC name of [3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine (CID 106923672) is [3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine?
The canonical SMILES for [3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine is NCc1ccnnc1Sc1ncco1.
What is the InChIKey of [3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine?
The InChIKey is KZQIBDOAJYVLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c9-5-6-1-2-11-12-7(6)14-8-10-3-4-13-8/h1-4H,5,9H2.
What are the key properties of [3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine?
[3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine has a molecular weight of 208.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 106923672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).