5-bromo-2-pyridin-2-yltriazol-4-amine

C7H6BrN5 — CID 97057903

IUPAC5-bromo-2-pyridin-2-yltriazol-4-amine
SMILESNc1nn(-c2ccccn2)nc1Br
InChIInChI=1S/C7H6BrN5/c8-6-7(9)12-13(11-6)5-3-1-2-4-10-5/h1-4H,(H2,9,12)
InChIKeyOWDVXTKBQXVDIO-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.01
Rot. Bonds1

About 5-bromo-2-pyridin-2-yltriazol-4-amine

5-bromo-2-pyridin-2-yltriazol-4-amine (PubChem CID 97057903) has the molecular formula C7H6BrN5 and a molecular weight of 240.06 g/mol. Its IUPAC name is 5-bromo-2-pyridin-2-yltriazol-4-amine.

Molecular Properties

Compound Name5-bromo-2-pyridin-2-yltriazol-4-amine
PubChem CID97057903
Molecular FormulaC7H6BrN5
Molecular Weight240.06 g/mol
Exact Mass238.98
IUPAC Name5-bromo-2-pyridin-2-yltriazol-4-amine
SMILESNc1nn(-c2ccccn2)nc1Br
InChIInChI=1S/C7H6BrN5/c8-6-7(9)12-13(11-6)5-3-1-2-4-10-5/h1-4H,(H2,9,12)
InChIKeyOWDVXTKBQXVDIO-UHFFFAOYSA-N
XLogP1.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 103098897
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19137203
2-(4-phenyltriazol-2-yl)pyridine
CID 59661486
4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 23823306
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
5-amino-1-pyridin-2-ylimidazole-4-carbonitrile
CID 14710201
2,5-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757583
3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine
CID 107354928
4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19153617
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78910390
5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine
CID 79872887

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyridin-2-yltriazol-4-amine?
The IUPAC name of 5-bromo-2-pyridin-2-yltriazol-4-amine (CID 97057903) is 5-bromo-2-pyridin-2-yltriazol-4-amine.
What is the SMILES notation for 5-bromo-2-pyridin-2-yltriazol-4-amine?
The canonical SMILES for 5-bromo-2-pyridin-2-yltriazol-4-amine is Nc1nn(-c2ccccn2)nc1Br.
What is the InChIKey of 5-bromo-2-pyridin-2-yltriazol-4-amine?
The InChIKey is OWDVXTKBQXVDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5/c8-6-7(9)12-13(11-6)5-3-1-2-4-10-5/h1-4H,(H2,9,12).
What are the key properties of 5-bromo-2-pyridin-2-yltriazol-4-amine?
5-bromo-2-pyridin-2-yltriazol-4-amine has a molecular weight of 240.06 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyridin-2-yltriazol-4-amine is sourced from PubChem (CID 97057903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).