2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride

C61H50Cl2IN19O4 — CID 158490158

About 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride

2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride (PubChem CID 158490158) has the molecular formula C61H50Cl2IN19O4 and a molecular weight of 1311.01 g/mol. Its IUPAC name is 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride.

Molecular Properties

• Compound Name: 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride
• PubChem CID: 158490158
• Molecular Formula: C61H50Cl2IN19O4
• Molecular Weight: 1311.01 g/mol
• Exact Mass: 1309.27
• IUPAC Name: 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride
• SMILES: C.Cc1nc(C)c(C(=O)Nc2ccnc(-c3nc4ncc(-c5ccccc5)cn4n3)c2)o1.Cc1nc(C)c(C(N)=O)o1.Cl.Clc1ccnc(-c2nc3ncc(-c4ccccc4)cn3n2)c1.Ic1ccnc(-c2nc3ncc(-c4ccccc4)cn3n2)c1
• InChI: InChI=1S/C22H17N7O2.C16H10ClN5.C16H10IN5.C6H8N2O2.CH4.ClH/c1-13-19(31-14(2)25-13)21(30)26-17-8-9-23-18(10-17)20-27-22-24-11-16(12-29(22)28-20)15-6-4-3-5-7-15;2*17-13-6-7-18-14(8-13)15-20-16-19-9-12(10-22(16)21-15)11-4-2-1-3-5-11;1-3-5(6(7)9)10-4(2)8-3;;/h3-12H,1-2H3,(H,23,26,30);2*1-10H;1-2H3,(H2,7,9);1H4;1H
• InChIKey: IAHIFIRIXRAKOU-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 292.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1311.01
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride?

The IUPAC name of 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride (CID 158490158) is 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride.

What is the SMILES notation for 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride?

The canonical SMILES for 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride is C.Cc1nc(C)c(C(=O)Nc2ccnc(-c3nc4ncc(-c5ccccc5)cn4n3)c2)o1.Cc1nc(C)c(C(N)=O)o1.Cl.Clc1ccnc(-c2nc3ncc(-c4ccccc4)cn3n2)c1.Ic1ccnc(-c2nc3ncc(-c4ccccc4)cn3n2)c1.

What is the InChIKey of 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride?

The InChIKey is IAHIFIRIXRAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O2.C16H10ClN5.C16H10IN5.C6H8N2O2.CH4.ClH/c1-13-19(31-14(2)25-13)21(30)26-17-8-9-23-18(10-17)20-27-22-24-11-16(12-29(22)28-20)15-6-4-3-5-7-15;2*17-13-6-7-18-14(8-13)15-20-16-19-9-12(10-22(16)21-15)11-4-2-1-3-5-11;1-3-5(6(7)9)10-4(2)8-3;;/h3-12H,1-2H3,(H,23,26,30);2*1-10H;1-2H3,(H2,7,9);1H4;1H.

What are the key properties of 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride?

2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride has a molecular weight of 1311.01 g/mol, XLogP of 12.12, 9 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[2-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-pyridinyl]-1,3-oxazole-5-carboxamide;2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;hydrochloride is sourced from PubChem (CID 158490158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).