2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride

C58H76Br4ClN25O12S — CID 159624577

About 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride

2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride (PubChem CID 159624577) has the molecular formula C58H76Br4ClN25O12S and a molecular weight of 1702.54 g/mol. Its IUPAC name is 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride
• PubChem CID: 159624577
• Molecular Formula: C58H76Br4ClN25O12S
• Molecular Weight: 1702.54 g/mol
• Exact Mass: 1697.22
• IUPAC Name: 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride
• SMILES: CC(C)(C)OC(=O)CC1CCn2nc(Br)nc2C1.COC(=O)C1CCn2nc(Br)nc2C1.COC(=O)C1CCn2nc(N)nc2C1.COC(=O)c1ccn2nc(N)nc2c1.Cc1nsc(-c2cnn(C)c2C(=O)CO)n1.Cl.NC1CCn2nc(Br)nc2C1.O=C(O)C1CCn2nc(Br)nc2C1
• InChI: InChI=1S/C12H18BrN3O2.C9H10N4O2S.C8H10BrN3O2.C8H12N4O2.C8H8N4O2.C7H8BrN3O2.C6H9BrN4.ClH/c1-12(2,3)18-10(17)7-8-4-5-16-9(6-8)14-11(13)15-16;1-5-11-9(16-12-5)6-3-10-13(2)8(6)7(15)4-14;3*1-14-7(13)5-2-3-12-6(4-5)10-8(9)11-12;8-7-9-5-3-4(6(12)13)1-2-11(5)10-7;7-6-9-5-3-4(8)1-2-11(5)10-6;/h8H,4-7H2,1-3H3;3,14H,4H2,1-2H3;5H,2-4H2,1H3;5H,2-4H2,1H3,(H2,9,11);2-4H,1H3,(H2,9,11);4H,1-3H2,(H,12,13);4H,1-3,8H2;1H
• InChIKey: KTYITOOMXBGFEA-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 485.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1702.54
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride?

The IUPAC name of 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride (CID 159624577) is 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride.

What is the SMILES notation for 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride?

The canonical SMILES for 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride is CC(C)(C)OC(=O)CC1CCn2nc(Br)nc2C1.COC(=O)C1CCn2nc(Br)nc2C1.COC(=O)C1CCn2nc(N)nc2C1.COC(=O)c1ccn2nc(N)nc2c1.Cc1nsc(-c2cnn(C)c2C(=O)CO)n1.Cl.NC1CCn2nc(Br)nc2C1.O=C(O)C1CCn2nc(Br)nc2C1.

What is the InChIKey of 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride?

The InChIKey is KTYITOOMXBGFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2.C9H10N4O2S.C8H10BrN3O2.C8H12N4O2.C8H8N4O2.C7H8BrN3O2.C6H9BrN4.ClH/c1-12(2,3)18-10(17)7-8-4-5-16-9(6-8)14-11(13)15-16;1-5-11-9(16-12-5)6-3-10-13(2)8(6)7(15)4-14;3*1-14-7(13)5-2-3-12-6(4-5)10-8(9)11-12;8-7-9-5-3-4(6(12)13)1-2-11(5)10-7;7-6-9-5-3-4(8)1-2-11(5)10-6;/h8H,4-7H2,1-3H3;3,14H,4H2,1-2H3;5H,2-4H2,1H3;5H,2-4H2,1H3,(H2,9,11);2-4H,1H3,(H2,9,11);4H,1-3H2,(H,12,13);4H,1-3,8H2;1H.

What are the key properties of 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride?

2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride has a molecular weight of 1702.54 g/mol, XLogP of 4.65, 9 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride is sourced from PubChem (CID 159624577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).