[4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid

C93H109Cl2N21O17 — CID 161425053

About [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid

[4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid (PubChem CID 161425053) has the molecular formula C93H109Cl2N21O17 and a molecular weight of 1863.93 g/mol. Its IUPAC name is [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid.

Molecular Properties

• Compound Name: [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid
• PubChem CID: 161425053
• Molecular Formula: C93H109Cl2N21O17
• Molecular Weight: 1863.93 g/mol
• Exact Mass: 1861.77
• IUPAC Name: [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid
• SMILES: C#CC(=O)OCC.CCOC(=O)c1cn(Cc2ccc(CO)cc2)nn1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cn(Cc2ccc(CCl)cc2)nn1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cn(Cc2ccc(CO)cc2)nn1.O=C(O)c1cn(Cc2ccc(CO)cc2)nn1.OCc1ccc(CCl)cc1.[N-]=[N+]=NCc1ccc(CO)cc1
• InChI: InChI=1S/C24H29ClN6O3.C24H30N6O4.C13H15N3O3.C11H11N3O3.C8H9ClO.C8H9N3O.C5H6O2/c1-15-10-21(28-23(33)34-24(3,4)5)27-16(2)19(15)12-26-22(32)20-14-31(30-29-20)13-18-8-6-17(11-25)7-9-18;1-15-10-21(27-23(33)34-24(3,4)5)26-16(2)19(15)11-25-22(32)20-13-30(29-28-20)12-17-6-8-18(14-31)9-7-17;1-2-19-13(18)12-8-16(15-14-12)7-10-3-5-11(9-17)6-4-10;15-7-9-3-1-8(2-4-9)5-14-6-10(11(16)17)12-13-14;9-5-7-1-3-8(6-10)4-2-7;9-11-10-5-7-1-3-8(6-12)4-2-7;1-3-5(6)7-4-2/h6-10,14H,11-13H2,1-5H3,(H,26,32)(H,27,28,33);6-10,13,31H,11-12,14H2,1-5H3,(H,25,32)(H,26,27,33);3-6,8,17H,2,7,9H2,1H3;1-4,6,15H,5,7H2,(H,16,17);1-4,10H,5-6H2;1-4,12H,5-6H2;1H,4H2,2H3
• InChIKey: VXGAUAQWHYFWPQ-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 523.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1863.93
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid?

The IUPAC name of [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid (CID 161425053) is [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid.

What is the SMILES notation for [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid?

The canonical SMILES for [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid is C#CC(=O)OCC.CCOC(=O)c1cn(Cc2ccc(CO)cc2)nn1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cn(Cc2ccc(CCl)cc2)nn1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cn(Cc2ccc(CO)cc2)nn1.O=C(O)c1cn(Cc2ccc(CO)cc2)nn1.OCc1ccc(CCl)cc1.[N-]=[N+]=NCc1ccc(CO)cc1.

What is the InChIKey of [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid?

The InChIKey is VXGAUAQWHYFWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O3.C24H30N6O4.C13H15N3O3.C11H11N3O3.C8H9ClO.C8H9N3O.C5H6O2/c1-15-10-21(28-23(33)34-24(3,4)5)27-16(2)19(15)12-26-22(32)20-14-31(30-29-20)13-18-8-6-17(11-25)7-9-18;1-15-10-21(27-23(33)34-24(3,4)5)26-16(2)19(15)11-25-22(32)20-13-30(29-28-20)12-17-6-8-18(14-31)9-7-17;1-2-19-13(18)12-8-16(15-14-12)7-10-3-5-11(9-17)6-4-10;15-7-9-3-1-8(2-4-9)5-14-6-10(11(16)17)12-13-14;9-5-7-1-3-8(6-10)4-2-7;9-11-10-5-7-1-3-8(6-12)4-2-7;1-3-5(6)7-4-2/h6-10,14H,11-13H2,1-5H3,(H,26,32)(H,27,28,33);6-10,13,31H,11-12,14H2,1-5H3,(H,25,32)(H,26,27,33);3-6,8,17H,2,7,9H2,1H3;1-4,6,15H,5,7H2,(H,16,17);1-4,10H,5-6H2;1-4,12H,5-6H2;1H,4H2,2H3.

What are the key properties of [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid?

[4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid has a molecular weight of 1863.93 g/mol, XLogP of 13.06, 29 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(azidomethyl)phenyl]methanol;tert-butyl N-[5-[[[1-[[4-(chloromethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;[4-(chloromethyl)phenyl]methanol;ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;1-[[4-(hydroxymethyl)phenyl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 161425053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).