8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride

C75H71ClN15O3+ — CID 158433642

About 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride

8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride (PubChem CID 158433642) has the molecular formula C75H71ClN15O3+ and a molecular weight of 1265.95 g/mol. Its IUPAC name is 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride.

Molecular Properties

• Compound Name: 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride
• PubChem CID: 158433642
• Molecular Formula: C75H71ClN15O3+
• Molecular Weight: 1265.95 g/mol
• Exact Mass: 1264.55
• IUPAC Name: 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride
• SMILES: Cc1ccc[n+](-c2nnc3n2CCNC3C)c1.Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3C)n1.Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1.O=C(Cl)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/2C25H23N5O.C13H9ClO.C12H16N5/c2*1-17-7-6-10-22(26-17)24-28-27-23-18(2)29(15-16-30(23)24)25(31)21-13-11-20(12-14-21)19-8-4-3-5-9-19;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-9-4-3-6-16(8-9)12-15-14-11-10(2)13-5-7-17(11)12/h2*3-14,18H,15-16H2,1-2H3;1-9H;3-4,6,8,10,13H,5,7H2,1-2H3/q;;;+1/t18-;;;/m1.../s1
• InChIKey: SAAAPUWHRRABNC-YTNSDAIYSA-N
• XLogP: 13.33
• TPSA: 191.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1265.95
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride?

The IUPAC name of 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride (CID 158433642) is 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride.

What is the SMILES notation for 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride?

The canonical SMILES for 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride is Cc1ccc[n+](-c2nnc3n2CCNC3C)c1.Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3C)n1.Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1.O=C(Cl)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride?

The InChIKey is SAAAPUWHRRABNC-YTNSDAIYSA-N. The full InChI is InChI=1S/2C25H23N5O.C13H9ClO.C12H16N5/c2*1-17-7-6-10-22(26-17)24-28-27-23-18(2)29(15-16-30(23)24)25(31)21-13-11-20(12-14-21)19-8-4-3-5-9-19;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-9-4-3-6-16(8-9)12-15-14-11-10(2)13-5-7-17(11)12/h2*3-14,18H,15-16H2,1-2H3;1-9H;3-4,6,8,10,13H,5,7H2,1-2H3/q;;;+1/t18-;;;/m1.../s1.

What are the key properties of 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride?

8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride has a molecular weight of 1265.95 g/mol, XLogP of 13.33, 9 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-3-(3-methylpyridin-1-ium-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;[(8R)-8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone;4-phenylbenzoyl chloride is sourced from PubChem (CID 158433642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).