5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine

C8H9N5S — CID 104670742

IUPAC5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2nnc(N)s2)c(C)nn1
InChIInChI=1S/C8H9N5S/c1-4-3-6(5(2)11-10-4)7-12-13-8(9)14-7/h3H,1-2H3,(H2,9,13)
InChIKeyLSXFLPSRSMBYMK-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.19
Rot. Bonds1

About 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine

5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 104670742) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID104670742
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2nnc(N)s2)c(C)nn1
InChIInChI=1S/C8H9N5S/c1-4-3-6(5(2)11-10-4)7-12-13-8(9)14-7/h3H,1-2H3,(H2,9,13)
InChIKeyLSXFLPSRSMBYMK-UHFFFAOYSA-N
XLogP1.19
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine (CID 104670742) is 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine is Cc1cc(-c2nnc(N)s2)c(C)nn1.
What is the InChIKey of 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LSXFLPSRSMBYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-4-3-6(5(2)11-10-4)7-12-13-8(9)14-7/h3H,1-2H3,(H2,9,13).
What are the key properties of 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine?
5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 207.26 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104670742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).