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

C11H15N5S — CID 104673007

IUPACN-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-c2cc(C)nnc2C)s1
InChIInChI=1S/C11H15N5S/c1-4-12-6-10-15-16-11(17-10)9-5-7(2)13-14-8(9)3/h5,12H,4,6H2,1-3H3
InChIKeyBIBLUMSEBCYGNV-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.72
Rot. Bonds4

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

N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 104673007) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID104673007
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-c2cc(C)nnc2C)s1
InChIInChI=1S/C11H15N5S/c1-4-12-6-10-15-16-11(17-10)9-5-7(2)13-14-8(9)3/h5,12H,4,6H2,1-3H3
InChIKeyBIBLUMSEBCYGNV-UHFFFAOYSA-N
XLogP1.72
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 104673007) is N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(-c2cc(C)nnc2C)s1.
What is the InChIKey of N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is BIBLUMSEBCYGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-4-12-6-10-15-16-11(17-10)9-5-7(2)13-14-8(9)3/h5,12H,4,6H2,1-3H3.
What are the key properties of N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 249.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 104673007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).