2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine

C79H63F3N26O3 — CID 159088738

About 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine

2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine (PubChem CID 159088738) has the molecular formula C79H63F3N26O3 and a molecular weight of 1481.55 g/mol. Its IUPAC name is 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine.

Molecular Properties

• Compound Name: 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine
• PubChem CID: 159088738
• Molecular Formula: C79H63F3N26O3
• Molecular Weight: 1481.55 g/mol
• Exact Mass: 1480.55
• IUPAC Name: 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine
• SMILES: Cc1cc(=O)n2[nH]c(C)nc2n1.Cc1cc(=O)n2[nH]cnc2n1.Cc1ccc(-c2nc3ncccn3n2)cc1.Cc1cnc2cccnn12.Cc1nc2nc(C(F)(F)F)cc(=O)n2[nH]1.[C-]#[N+]C1=Nn2c(cc3ccccc32)C1.c1ccc(/N=C2/C(c3ccccc3)=Nn3c2nc(-c2ccccc2)c3-c2ccccc2)cc1
• InChI: InChI=1S/C29H20N4.C12H10N4.C11H7N3.C7H5F3N4O.C7H8N4O.C7H7N3.C6H6N4O/c1-5-13-21(14-6-1)25-27(30-24-19-11-4-12-20-24)29-31-26(22-15-7-2-8-16-22)28(33(29)32-25)23-17-9-3-10-18-23;1-9-3-5-10(6-4-9)11-14-12-13-7-2-8-16(12)15-11;1-12-11-7-9-6-8-4-2-3-5-10(8)14(9)13-11;1-3-11-6-12-4(7(8,9)10)2-5(15)14(6)13-3;1-4-3-6(12)11-7(8-4)9-5(2)10-11;1-6-5-8-7-3-2-4-9-10(6)7;1-4-2-5(11)10-6(9-4)7-3-8-10/h1-20H;2-8H,1H3;2-6H,7H2;2H,1H3,(H,11,12,13);3H,1-2H3,(H,8,9,10);2-5H,1H3;2-3H,1H3,(H,7,8,9)/b30-27-
• InChIKey: KUNQSBTWSADZGL-CVUNAVCISA-N
• XLogP: 12.52
• TPSA: 326.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 5
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.55
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine?

The IUPAC name of 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine (CID 159088738) is 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine.

What is the SMILES notation for 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine?

The canonical SMILES for 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine is Cc1cc(=O)n2[nH]c(C)nc2n1.Cc1cc(=O)n2[nH]cnc2n1.Cc1ccc(-c2nc3ncccn3n2)cc1.Cc1cnc2cccnn12.Cc1nc2nc(C(F)(F)F)cc(=O)n2[nH]1.[C-]#[N+]C1=Nn2c(cc3ccccc32)C1.c1ccc(/N=C2/C(c3ccccc3)=Nn3c2nc(-c2ccccc2)c3-c2ccccc2)cc1.

What is the InChIKey of 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine?

The InChIKey is KUNQSBTWSADZGL-CVUNAVCISA-N. The full InChI is InChI=1S/C29H20N4.C12H10N4.C11H7N3.C7H5F3N4O.C7H8N4O.C7H7N3.C6H6N4O/c1-5-13-21(14-6-1)25-27(30-24-19-11-4-12-20-24)29-31-26(22-15-7-2-8-16-22)28(33(29)32-25)23-17-9-3-10-18-23;1-9-3-5-10(6-4-9)11-14-12-13-7-2-8-16(12)15-11;1-12-11-7-9-6-8-4-2-3-5-10(8)14(9)13-11;1-3-11-6-12-4(7(8,9)10)2-5(15)14(6)13-3;1-4-3-6(12)11-7(8-4)9-5(2)10-11;1-6-5-8-7-3-2-4-9-10(6)7;1-4-2-5(11)10-6(9-4)7-3-8-10/h1-20H;2-8H,1H3;2-6H,7H2;2H,1H3,(H,11,12,13);3H,1-2H3,(H,8,9,10);2-5H,1H3;2-3H,1H3,(H,7,8,9)/b30-27-;;;;;;.

What are the key properties of 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine?

2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine has a molecular weight of 1481.55 g/mol, XLogP of 12.52, 5 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-isocyano-3H-pyrazolo[1,5-a]indole;3-methylimidazo[1,2-b]pyridazine;2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N,2,3,6-tetraphenylimidazo[1,2-b]pyrazol-7-imine is sourced from PubChem (CID 159088738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).