2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate

C154H156BBr8Cl3N37O20P — CID 159903000

About 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate

2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate (PubChem CID 159903000) has the molecular formula C154H156BBr8Cl3N37O20P and a molecular weight of 3632.56 g/mol. Its IUPAC name is 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate.

Molecular Properties

• Compound Name: 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate
• PubChem CID: 159903000
• Molecular Formula: C154H156BBr8Cl3N37O20P
• Molecular Weight: 3632.56 g/mol
• Exact Mass: 3621.47
• IUPAC Name: 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate
• SMILES: CN(C)C=Nc1cccc(C(=O)C/N=C/N(C)C)n1.Cc1ccc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCOC3)cn1.Cc1ccc(B(O)O)cn1.Cc1ccc(Br)cc1C#N.N#Cc1cc(Br)ccc1CBr.N#Cc1cc(Br)ccc1COCCCN.N#Cc1cc(Br)ccc1COCCCN1C(=O)c2ccccc2C1=O.N#Cc1cc(Br)ccc1COCCCn1cnnc1-c1cccc(N)n1.Nc1cccc(-c2nncn2CCCOCc2ccc(Br)cc2C(=O)O)n1.O.O=C1Nc2cccc(n2)-c2nncn2CCCOCc2ccc(Br)cc21.O=C1c2ccccc2C(=O)N1CCCO.O=P(Cl)(Cl)Cl.[H]/N=N/[H].[H][H]
• InChI: InChI=1S/C24H22N6O2.C19H15BrN2O3.C18H17BrN6O.C18H18BrN5O3.C18H16BrN5O2.C13H19N5O.C11H13BrN2O.C11H11NO3.C8H5Br2N.C8H6BrN.C6H8BNO2.Cl3OP.H2N2.H2O.H2/c1-16-6-7-18(13-25-16)17-8-9-19-14-32-11-3-10-30-15-26-29-23(30)21-4-2-5-22(27-21)28-24(31)20(19)12-17;20-15-7-6-13(14(10-15)11-21)12-25-9-3-8-22-18(23)16-4-1-2-5-17(16)19(22)24;19-15-6-5-13(14(9-15)10-20)11-26-8-2-7-25-12-22-24-18(25)16-3-1-4-17(21)23-16;19-13-6-5-12(14(9-13)18(25)26)10-27-8-2-7-24-11-21-23-17(24)15-3-1-4-16(20)22-15;19-13-6-5-12-10-26-8-2-7-24-11-20-23-17(24)15-3-1-4-16(21-15)22-18(25)14(12)9-13;1-17(2)9-14-8-12(19)11-6-5-7-13(16-11)15-10-18(3)4;12-11-3-2-9(10(6-11)7-14)8-15-5-1-4-13;13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15;9-4-6-1-2-8(10)3-7(6)5-11;1-6-2-3-8(9)4-7(6)5-10;1-5-2-3-6(4-8-5)7(9)10;1-5(2,3)4;1-2;;/h2,4-9,12-13,15H,3,10-11,14H2,1H3,(H,27,28,31);1-2,4-7,10H,3,8-9,12H2;1,3-6,9,12H,2,7-8,11H2,(H2,21,23);1,3-6,9,11H,2,7-8,10H2,(H2,20,22)(H,25,26);1,3-6,9,11H,2,7-8,10H2,(H,21,22,25);5-7,9-10H,8H2,1-4H3;2-3,6H,1,4-5,8,13H2;1-2,4-5,13H,3,6-7H2;1-3H,4H2;2-4H,1H3;2-4,9-10H,1H3;;1-2H;1H2;1H/b;;;;;14-9+,15-10?;;;;;;;2-1+
• InChIKey: SXUYIOANXSYLGM-FAFSXJLLSA-N
• XLogP: 28.51
• TPSA: 840.95 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 49
• Rotatable Bonds: 38
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3632.56
LogP ≤ 5	28.51
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate?

The IUPAC name of 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate (CID 159903000) is 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate.

What is the SMILES notation for 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate?

The canonical SMILES for 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate is CN(C)C=Nc1cccc(C(=O)C/N=C/N(C)C)n1.Cc1ccc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCOC3)cn1.Cc1ccc(B(O)O)cn1.Cc1ccc(Br)cc1C#N.N#Cc1cc(Br)ccc1CBr.N#Cc1cc(Br)ccc1COCCCN.N#Cc1cc(Br)ccc1COCCCN1C(=O)c2ccccc2C1=O.N#Cc1cc(Br)ccc1COCCCn1cnnc1-c1cccc(N)n1.Nc1cccc(-c2nncn2CCCOCc2ccc(Br)cc2C(=O)O)n1.O.O=C1Nc2cccc(n2)-c2nncn2CCCOCc2ccc(Br)cc21.O=C1c2ccccc2C(=O)N1CCCO.O=P(Cl)(Cl)Cl.[H]/N=N/[H].[H][H].

What is the InChIKey of 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate?

The InChIKey is SXUYIOANXSYLGM-FAFSXJLLSA-N. The full InChI is InChI=1S/C24H22N6O2.C19H15BrN2O3.C18H17BrN6O.C18H18BrN5O3.C18H16BrN5O2.C13H19N5O.C11H13BrN2O.C11H11NO3.C8H5Br2N.C8H6BrN.C6H8BNO2.Cl3OP.H2N2.H2O.H2/c1-16-6-7-18(13-25-16)17-8-9-19-14-32-11-3-10-30-15-26-29-23(30)21-4-2-5-22(27-21)28-24(31)20(19)12-17;20-15-7-6-13(14(10-15)11-21)12-25-9-3-8-22-18(23)16-4-1-2-5-17(16)19(22)24;19-15-6-5-13(14(9-15)10-20)11-26-8-2-7-25-12-22-24-18(25)16-3-1-4-17(21)23-16;19-13-6-5-12(14(9-13)18(25)26)10-27-8-2-7-24-11-21-23-17(24)15-3-1-4-16(20)22-15;19-13-6-5-12-10-26-8-2-7-24-11-20-23-17(24)15-3-1-4-16(21-15)22-18(25)14(12)9-13;1-17(2)9-14-8-12(19)11-6-5-7-13(16-11)15-10-18(3)4;12-11-3-2-9(10(6-11)7-14)8-15-5-1-4-13;13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15;9-4-6-1-2-8(10)3-7(6)5-11;1-6-2-3-8(9)4-7(6)5-10;1-5-2-3-6(4-8-5)7(9)10;1-5(2,3)4;1-2;;/h2,4-9,12-13,15H,3,10-11,14H2,1H3,(H,27,28,31);1-2,4-7,10H,3,8-9,12H2;1,3-6,9,12H,2,7-8,11H2,(H2,21,23);1,3-6,9,11H,2,7-8,10H2,(H2,20,22)(H,25,26);1,3-6,9,11H,2,7-8,10H2,(H,21,22,25);5-7,9-10H,8H2,1-4H3;2-3,6H,1,4-5,8,13H2;1-2,4-5,13H,3,6-7H2;1-3H,4H2;2-4H,1H3;2-4,9-10H,1H3;;1-2H;1H2;1H/b;;;;;14-9+,15-10?;;;;;;;2-1+;;.

What are the key properties of 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate?

2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate has a molecular weight of 3632.56 g/mol, XLogP of 28.51, 38 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-aminopropoxymethyl)-5-bromobenzonitrile;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzoic acid;2-[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]propoxymethyl]-5-bromobenzonitrile;5-bromo-2-(bromomethyl)benzonitrile;5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propoxymethyl]benzonitrile;5-bromo-2-methylbenzonitrile;15-bromo-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;diazene;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-(3-hydroxypropyl)isoindole-1,3-dione;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-10-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;molecular hydrogen;phosphoryl trichloride;hydrate is sourced from PubChem (CID 159903000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).