5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide

C77H79BBr3ClN22O14S5 — CID 167652352

About 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide

5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide (PubChem CID 167652352) has the molecular formula C77H79BBr3ClN22O14S5 and a molecular weight of 1982.93 g/mol. Its IUPAC name is 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide
• PubChem CID: 167652352
• Molecular Formula: C77H79BBr3ClN22O14S5
• Molecular Weight: 1982.93 g/mol
• Exact Mass: 1978.21
• IUPAC Name: 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide
• SMILES: Nc1nc2cccc(Br)n2n1.O=C(C1CC1)N(C(=O)C1CC1)c1nc2cccc(Br)n2n1.O=C(Cl)C1CC1.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1.O=C(Nc1nc2cccc(Br)n2n1)C1CC1.O=Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.O=Cc1ccc(B(O)O)s1.O=S1(=O)CCNCC1
• InChI: InChI=1S/C19H21N5O3S2.C15H12N4O2S.C14H13BrN4O2.C10H9BrN4O.C6H5BrN4.C5H5BO3S.C4H5ClO.C4H9NO2S/c25-18(13-4-5-13)21-19-20-17-3-1-2-15(24(17)22-19)16-7-6-14(28-16)12-23-8-10-29(26,27)11-9-23;20-8-10-6-7-12(22-10)11-2-1-3-13-16-15(18-19(11)13)17-14(21)9-4-5-9;15-10-2-1-3-11-16-14(17-19(10)11)18(12(20)8-4-5-8)13(21)9-6-7-9;11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6;7-4-2-1-3-5-9-6(8)10-11(4)5;7-3-4-1-2-5(10-4)6(8)9;5-4(6)3-1-2-3;6-8(7)3-1-5-2-4-8/h1-3,6-7,13H,4-5,8-12H2,(H,21,22,25);1-3,6-9H,4-5H2,(H,17,18,21);1-3,8-9H,4-7H2;1-3,6H,4-5H2,(H,13,14,16);1-3H,(H2,8,10);1-3,8-9H;3H,1-2H2;5H,1-4H2
• InChIKey: QTJUKPSFJDGXKQ-UHFFFAOYSA-N
• XLogP: 9.15
• TPSA: 476.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1982.93
LogP ≤ 5	9.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide?

The IUPAC name of 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide (CID 167652352) is 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide.

What is the SMILES notation for 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide?

The canonical SMILES for 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide is Nc1nc2cccc(Br)n2n1.O=C(C1CC1)N(C(=O)C1CC1)c1nc2cccc(Br)n2n1.O=C(Cl)C1CC1.O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1.O=C(Nc1nc2cccc(Br)n2n1)C1CC1.O=Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.O=Cc1ccc(B(O)O)s1.O=S1(=O)CCNCC1.

What is the InChIKey of 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide?

The InChIKey is QTJUKPSFJDGXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S2.C15H12N4O2S.C14H13BrN4O2.C10H9BrN4O.C6H5BrN4.C5H5BO3S.C4H5ClO.C4H9NO2S/c25-18(13-4-5-13)21-19-20-17-3-1-2-15(24(17)22-19)16-7-6-14(28-16)12-23-8-10-29(26,27)11-9-23;20-8-10-6-7-12(22-10)11-2-1-3-13-16-15(18-19(11)13)17-14(21)9-4-5-9;15-10-2-1-3-11-16-14(17-19(10)11)18(12(20)8-4-5-8)13(21)9-6-7-9;11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6;7-4-2-1-3-5-9-6(8)10-11(4)5;7-3-4-1-2-5(10-4)6(8)9;5-4(6)3-1-2-3;6-8(7)3-1-5-2-4-8/h1-3,6-7,13H,4-5,8-12H2,(H,21,22,25);1-3,6-9H,4-5H2,(H,17,18,21);1-3,8-9H,4-7H2;1-3,6H,4-5H2,(H,13,14,16);1-3H,(H2,8,10);1-3,8-9H;3H,1-2H2;5H,1-4H2.

What are the key properties of 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide?

5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide has a molecular weight of 1982.93 g/mol, XLogP of 9.15, 17 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;(5-formylthiophen-2-yl)boronic acid;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 167652352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).