2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine

C7H7BrN4S — CID 165471829

IUPAC2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine
SMILESNc1cnn(Cc2ccsc2Br)n1
InChIInChI=1S/C7H7BrN4S/c8-7-5(1-2-13-7)4-12-10-3-6(9)11-12/h1-3H,4H2,(H2,9,11)
InChIKeyMLMKUKLAWTZICO-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.73
Rot. Bonds2

About 2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine

2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine (PubChem CID 165471829) has the molecular formula C7H7BrN4S and a molecular weight of 259.13 g/mol. Its IUPAC name is 2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine
PubChem CID165471829
Molecular FormulaC7H7BrN4S
Molecular Weight259.13 g/mol
Exact Mass257.96
IUPAC Name2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine
SMILESNc1cnn(Cc2ccsc2Br)n1
InChIInChI=1S/C7H7BrN4S/c8-7-5(1-2-13-7)4-12-10-3-6(9)11-12/h1-3H,4H2,(H2,9,11)
InChIKeyMLMKUKLAWTZICO-UHFFFAOYSA-N
XLogP1.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-bromothiophen-3-yl)methyl]-5-methylpyrazol-4-amine
CID 165471888
2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine
CID 165471897
2-[(2,3-difluorophenyl)methyl]triazol-4-amine
CID 165479947
3,5-dibromo-1-[(2-bromothiophen-3-yl)methyl]-1,2,4-triazole
CID 164659827
2-[(5-bromofuran-3-yl)methyl]triazol-4-amine
CID 165479365
2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine
CID 165481339
2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine
CID 165479881
2-(thiadiazol-4-ylmethyl)triazol-4-amine
CID 165472887
2-bromo-3-(bromomethyl)thiophene
CID 2735537
N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine
CID 130949120
2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine
CID 67958100
2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine
CID 165471904

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine?
The IUPAC name of 2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine (CID 165471829) is 2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine is Nc1cnn(Cc2ccsc2Br)n1.
What is the InChIKey of 2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine?
The InChIKey is MLMKUKLAWTZICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4S/c8-7-5(1-2-13-7)4-12-10-3-6(9)11-12/h1-3H,4H2,(H2,9,11).
What are the key properties of 2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine?
2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine has a molecular weight of 259.13 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 165471829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).