methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride

C79H85ClN16O3 — CID 159438777

About methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride

methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride (PubChem CID 159438777) has the molecular formula C79H85ClN16O3 and a molecular weight of 1342.11 g/mol. Its IUPAC name is methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride.

Molecular Properties

• Compound Name: methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride
• PubChem CID: 159438777
• Molecular Formula: C79H85ClN16O3
• Molecular Weight: 1342.11 g/mol
• Exact Mass: 1340.67
• IUPAC Name: methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride
• SMILES: C.C.CNC.Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3C)n1.Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1.Cc1cccc(-c2nnc3n2CCNC3C)n1.O=C(Cl)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/2C25H23N5O.C13H9ClO.C12H15N5.C2H7N.2CH4/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;1-8-4-3-5-10(14-8)12-16-15-11-9(2)13-6-7-17(11)12;1-3-2;;/h2*3-14,18H,15-16H2,1-2H3;1-9H;3-5,9,13H,6-7H2,1-2H3;3H,1-2H3;2*1H4/t18-;;;;;;/m1....../s1
• InChIKey: LRXHEXQQCHYQHL-PWTIQMJMSA-N
• XLogP: 15.22
• TPSA: 212.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1342.11
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride?

The IUPAC name of methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride (CID 159438777) is methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride.

What is the SMILES notation for methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride?

The canonical SMILES for methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride is C.C.CNC.Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3C)n1.Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1.Cc1cccc(-c2nnc3n2CCNC3C)n1.O=C(Cl)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride?

The InChIKey is LRXHEXQQCHYQHL-PWTIQMJMSA-N. The full InChI is InChI=1S/2C25H23N5O.C13H9ClO.C12H15N5.C2H7N.2CH4/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;1-8-4-3-5-10(14-8)12-16-15-11-9(2)13-6-7-17(11)12;1-3-2;;/h2*3-14,18H,15-16H2,1-2H3;1-9H;3-5,9,13H,6-7H2,1-2H3;3H,1-2H3;2*1H4/t18-;;;;;;/m1....../s1.

What are the key properties of methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride?

methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride has a molecular weight of 1342.11 g/mol, XLogP of 15.22, 9 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for methane;N-methylmethanamine;[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;8-methyl-3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylbenzoyl chloride is sourced from PubChem (CID 159438777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).