5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine

C7H6BrN5 — CID 103098897

IUPAC5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(-c2ccccn2)n1
InChIInChI=1S/C7H6BrN5/c8-6-11-7(9)12-13(6)5-3-1-2-4-10-5/h1-4H,(H2,9,12)
InChIKeyPVGSCLXIDURFPB-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.01
Rot. Bonds1

About 5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine

5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine (PubChem CID 103098897) has the molecular formula C7H6BrN5 and a molecular weight of 240.06 g/mol. Its IUPAC name is 5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine
PubChem CID103098897
Molecular FormulaC7H6BrN5
Molecular Weight240.06 g/mol
Exact Mass238.98
IUPAC Name5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(-c2ccccn2)n1
InChIInChI=1S/C7H6BrN5/c8-6-11-7(9)12-13(6)5-3-1-2-4-10-5/h1-4H,(H2,9,12)
InChIKeyPVGSCLXIDURFPB-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-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
CID 103098972
5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine
CID 103099001
5-bromo-2-pyridin-2-yltriazol-4-amine
CID 97057903
5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine
CID 79872887
6-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341254
4-(3-amino-5-bromo-1,2,4-triazol-1-yl)-1H-pyrimidin-6-one
CID 136827945
5-bromo-1-(6-ethoxypyrimidin-4-yl)-1,2,4-triazol-3-amine
CID 103099118
5-bromo-1-phthalazin-1-yl-1,2,4-triazol-3-amine
CID 103099031
3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
CID 43381330
5-[(3,4-dimethoxyphenyl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 56962741
3-N-(4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976428
1-pyridin-2-ylindazol-6-amine
CID 61176394

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine (CID 103098897) is 5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine is Nc1nc(Br)n(-c2ccccn2)n1.
What is the InChIKey of 5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine?
The InChIKey is PVGSCLXIDURFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5/c8-6-11-7(9)12-13(6)5-3-1-2-4-10-5/h1-4H,(H2,9,12).
What are the key properties of 5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine?
5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-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-1-pyridin-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 103098897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).