1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine

C7H9BrN6S — CID 106464914

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)c1c(Br)nnn1C
InChIInChI=1S/C7H9BrN6S/c1-9-5(4-3-10-13-15-4)6-7(8)11-12-14(6)2/h3,5,9H,1-2H3
InChIKeyAENTVQMWRLVLSF-UHFFFAOYSA-N
MW289.16 g/mol
LogP0.74
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine

1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine (PubChem CID 106464914) has the molecular formula C7H9BrN6S and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
PubChem CID106464914
Molecular FormulaC7H9BrN6S
Molecular Weight289.16 g/mol
Exact Mass287.98
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)c1c(Br)nnn1C
InChIInChI=1S/C7H9BrN6S/c1-9-5(4-3-10-13-15-4)6-7(8)11-12-14(6)2/h3,5,9H,1-2H3
InChIKeyAENTVQMWRLVLSF-UHFFFAOYSA-N
XLogP0.74
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106464716
1-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105173140
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 106465372
1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
CID 106462131
N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine
CID 130848665
1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine
CID 106465124
1-(2,5-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105120600
N-[(5-bromo-3-methyltriazol-4-yl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 106465382
N-[(5-bromo-3-methyltriazol-4-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 106465384
N-methyl-1-(1-propylimidazol-2-yl)-1-(thiadiazol-5-yl)methanamine
CID 65215167
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 106462299

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine (CID 106464914) is 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine is CNC(c1cnns1)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The InChIKey is AENTVQMWRLVLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN6S/c1-9-5(4-3-10-13-15-4)6-7(8)11-12-14(6)2/h3,5,9H,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine has a molecular weight of 289.16 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 106464914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).