1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine

C10H13N5S — CID 104672976

IUPAC1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCc1cc(-c2nnc(C(C)N)s2)c(C)nn1
InChIInChI=1S/C10H13N5S/c1-5-4-8(7(3)13-12-5)10-15-14-9(16-10)6(2)11/h4,6H,11H2,1-3H3
InChIKeyXTYCHFQICXRRHY-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.63
Rot. Bonds2

About 1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine

1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 104672976) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID104672976
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCc1cc(-c2nnc(C(C)N)s2)c(C)nn1
InChIInChI=1S/C10H13N5S/c1-5-4-8(7(3)13-12-5)10-15-14-9(16-10)6(2)11/h4,6H,11H2,1-3H3
InChIKeyXTYCHFQICXRRHY-UHFFFAOYSA-N
XLogP1.63
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 104672976) is 1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine is Cc1cc(-c2nnc(C(C)N)s2)c(C)nn1.
What is the InChIKey of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is XTYCHFQICXRRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-5-4-8(7(3)13-12-5)10-15-14-9(16-10)6(2)11/h4,6H,11H2,1-3H3.
What are the key properties of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 235.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 104672976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).