5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine

C7H9BrN6S — CID 165481819

IUPAC5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine
SMILESCCc1nnc(Cn2nc(N)nc2Br)s1
InChIInChI=1S/C7H9BrN6S/c1-2-4-11-12-5(15-4)3-14-6(8)10-7(9)13-14/h2-3H2,1H3,(H2,9,13)
InChIKeyDUGDDGDZMQZQCE-UHFFFAOYSA-N
MW289.16 g/mol
LogP1.09
Rot. Bonds3

About 5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine

5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 165481819) has the molecular formula C7H9BrN6S and a molecular weight of 289.16 g/mol. Its IUPAC name is 5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID165481819
Molecular FormulaC7H9BrN6S
Molecular Weight289.16 g/mol
Exact Mass287.98
IUPAC Name5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine
SMILESCCc1nnc(Cn2nc(N)nc2Br)s1
InChIInChI=1S/C7H9BrN6S/c1-2-4-11-12-5(15-4)3-14-6(8)10-7(9)13-14/h2-3H2,1H3,(H2,9,13)
InChIKeyDUGDDGDZMQZQCE-UHFFFAOYSA-N
XLogP1.09
TPSA82.51 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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine
CID 165482172
5-bromo-1-[(4-bromothiophen-2-yl)methyl]-1,2,4-triazol-3-amine
CID 103098505
5-bromo-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine
CID 165472111
5-bromo-1-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 103098687
5-bromo-1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-amine
CID 103098532
5-bromo-1-(2-propoxyethyl)-1,2,4-triazol-3-amine
CID 106452735
5-bromo-1-(2-methoxybutyl)-1,2,4-triazol-3-amine
CID 165479454
5-bromo-1-[(5-bromofuran-3-yl)methyl]-1,2,4-triazol-3-amine
CID 131108985
5-bromo-1-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-amine
CID 130639946
3-(3-amino-5-bromo-1,2,4-triazol-1-yl)-2,2-dimethylpropan-1-ol
CID 165473659
5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine
CID 130789722
5-bromo-1-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine
CID 130578082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine (CID 165481819) is 5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine is CCc1nnc(Cn2nc(N)nc2Br)s1.
What is the InChIKey of 5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is DUGDDGDZMQZQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN6S/c1-2-4-11-12-5(15-4)3-14-6(8)10-7(9)13-14/h2-3H2,1H3,(H2,9,13).
What are the key properties of 5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 289.16 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 165481819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).