4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine

C6H7BrN6S — CID 106463678

IUPAC4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1c(Br)nnn1C
InChIInChI=1S/C6H7BrN6S/c1-8-6-3(10-14-11-6)4-5(7)9-12-13(4)2/h1-2H3,(H,8,11)
InChIKeyWVEYVBDPOSCCOP-UHFFFAOYSA-N
MW275.14 g/mol
LogP1.14
Rot. Bonds2

About 4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine

4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 106463678) has the molecular formula C6H7BrN6S and a molecular weight of 275.14 g/mol. Its IUPAC name is 4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID106463678
Molecular FormulaC6H7BrN6S
Molecular Weight275.14 g/mol
Exact Mass273.96
IUPAC Name4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1c(Br)nnn1C
InChIInChI=1S/C6H7BrN6S/c1-8-6-3(10-14-11-6)4-5(7)9-12-13(4)2/h1-2H3,(H,8,11)
InChIKeyWVEYVBDPOSCCOP-UHFFFAOYSA-N
XLogP1.14
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-bromo-3-methyltriazol-4-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 106463812
2-(5-bromo-3-methyltriazol-4-yl)-5-iodo-1,3,4-thiadiazole
CID 130597597
2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine
CID 106463214
4-(5-bromo-3-methyltriazol-4-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 106463638
6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine
CID 106463748
[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine
CID 106463197
4-(5-bromo-3-methyltriazol-4-yl)-5-fluoropyrimidin-2-amine
CID 106463765
1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
CID 106462131
5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-oxadiazol-2-amine
CID 130597507
4-bromo-5-[1-(2-fluoroethyl)triazol-4-yl]-1-methyltriazole
CID 167765360
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
2-(5-bromo-3-methyltriazol-4-yl)-5-(2-chloroethyl)-1,3,4-thiadiazole
CID 130597616

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine (CID 106463678) is 4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine is CNc1nsnc1-c1c(Br)nnn1C.
What is the InChIKey of 4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is WVEYVBDPOSCCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN6S/c1-8-6-3(10-14-11-6)4-5(7)9-12-13(4)2/h1-2H3,(H,8,11).
What are the key properties of 4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine?
4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 275.14 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 106463678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).