methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine

C73H66N14O2 — CID 159860491

About methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine

methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 159860491) has the molecular formula C73H66N14O2 and a molecular weight of 1171.43 g/mol. Its IUPAC name is methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

• Compound Name: methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine
• PubChem CID: 159860491
• Molecular Formula: C73H66N14O2
• Molecular Weight: 1171.43 g/mol
• Exact Mass: 1170.55
• IUPAC Name: methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine
• SMILES: C.CNc1cc([C@H](CC(=O)O)c2ccccc2)c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2n1.Nc1cc([C@H](Cc2nc3c(-c4ccccc4)cccc3[nH]2)c2ccccc2)c2n[nH]nc2n1.Nc1cccc(-c2ccccc2)c1N
• InChI: InChI=1S/C34H29N5O2.C26H21N7.C12H12N2.CH4/c1-35-30-22-29(28(23-31(40)41)24-14-6-2-7-15-24)32-33(36-30)39(38-37-32)34(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27;27-22-14-20(25-26(29-22)32-33-31-25)19(17-10-5-2-6-11-17)15-23-28-21-13-7-12-18(24(21)30-23)16-8-3-1-4-9-16;13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;/h2-22,28H,23H2,1H3,(H,35,36)(H,40,41);1-14,19H,15H2,(H,28,30)(H3,27,29,31,32,33);1-8H,13-14H2;1H4/t28-;19-;;/m11../s1
• InChIKey: NRBRSPQFFRQWFM-CYNSMNHYSA-N
• XLogP: 14.32
• TPSA: 254.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1171.43
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?

The IUPAC name of methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 159860491) is methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine.

What is the SMILES notation for methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?

The canonical SMILES for methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine is C.CNc1cc([C@H](CC(=O)O)c2ccccc2)c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2n1.Nc1cc([C@H](Cc2nc3c(-c4ccccc4)cccc3[nH]2)c2ccccc2)c2n[nH]nc2n1.Nc1cccc(-c2ccccc2)c1N.

What is the InChIKey of methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?

The InChIKey is NRBRSPQFFRQWFM-CYNSMNHYSA-N. The full InChI is InChI=1S/C34H29N5O2.C26H21N7.C12H12N2.CH4/c1-35-30-22-29(28(23-31(40)41)24-14-6-2-7-15-24)32-33(36-30)39(38-37-32)34(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27;27-22-14-20(25-26(29-22)32-33-31-25)19(17-10-5-2-6-11-17)15-23-28-21-13-7-12-18(24(21)30-23)16-8-3-1-4-9-16;13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;/h2-22,28H,23H2,1H3,(H,35,36)(H,40,41);1-14,19H,15H2,(H,28,30)(H3,27,29,31,32,33);1-8H,13-14H2;1H4/t28-;19-;;/m11../s1.

What are the key properties of methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?

methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 1171.43 g/mol, XLogP of 14.32, 15 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(3R)-3-[5-(methylamino)-3-trityltriazolo[4,5-b]pyridin-7-yl]-3-phenylpropanoic acid;3-phenylbenzene-1,2-diamine;7-[(1R)-1-phenyl-2-(4-phenyl-1H-benzimidazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 159860491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).