[3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine

C7H7BrN4S — CID 83657516

IUPAC[3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine
SMILESNCc1cnnn1-c1cc(Br)cs1
InChIInChI=1S/C7H7BrN4S/c8-5-1-7(13-4-5)12-6(2-9)3-10-11-12/h1,3-4H,2,9H2
InChIKeyUXMOAGNRQIUBGD-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.55
Rot. Bonds2

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

[3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine (PubChem CID 83657516) has the molecular formula C7H7BrN4S and a molecular weight of 259.13 g/mol. Its IUPAC name is [3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine
PubChem CID83657516
Molecular FormulaC7H7BrN4S
Molecular Weight259.13 g/mol
Exact Mass257.96
IUPAC Name[3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine
SMILESNCc1cnnn1-c1cc(Br)cs1
InChIInChI=1S/C7H7BrN4S/c8-5-1-7(13-4-5)12-6(2-9)3-10-11-12/h1,3-4H,2,9H2
InChIKeyUXMOAGNRQIUBGD-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-Bromothiophen-3-yl)methyl]triazol-4-yl]methanamine
CID 62055144
(1-Thiophen-2-yltriazol-4-yl)methanamine
CID 83636169
(3-Thiophen-2-yltriazol-4-yl)methanamine
CID 83636170
2-(1-Thiophen-2-yltriazol-4-yl)ethanamine
CID 83637304
[3-(5-Chlorothiophen-2-yl)triazol-4-yl]methanamine
CID 83640128
[3-(5-Bromothiophen-2-yl)triazol-4-yl]methanamine
CID 83657515
[1-(5-Bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine
CID 83664742
2-[1-(4-Bromothiophen-2-yl)triazol-4-yl]ethanamine
CID 83664745
2-[3-(4-Bromothiophen-2-yl)triazol-4-yl]ethanamine
CID 83664747
2-[1-[(5-Bromothiophen-3-yl)methyl]triazol-4-yl]ethanamine
CID 116642301
(1-(thiophen-2-yl)-1H-1,2,3-triazol-4-yl)methanamine dihydrochloride
CID 122243100
4-bromo-1-(thiophen-2-yl)-1H-1,2,3-triazole
CID 172993547

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine (CID 83657516) is [3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine is NCc1cnnn1-c1cc(Br)cs1.
What is the InChIKey of [3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine?
The InChIKey is UXMOAGNRQIUBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4S/c8-5-1-7(13-4-5)12-6(2-9)3-10-11-12/h1,3-4H,2,9H2.
What are the key properties of [3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine?
[3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine has a molecular weight of 259.13 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromothiophen-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 83657516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).