7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate

C118H159Cl5N24O16S4 — CID 90755124

About 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate

7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate (PubChem CID 90755124) has the molecular formula C118H159Cl5N24O16S4 and a molecular weight of 2475.25 g/mol. Its IUPAC name is 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate.

Molecular Properties

• Compound Name: 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate
• PubChem CID: 90755124
• Molecular Formula: C118H159Cl5N24O16S4
• Molecular Weight: 2475.25 g/mol
• Exact Mass: 2470.97
• IUPAC Name: 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate
• SMILES: CCCCCCCCCCC(Oc1ccc(OS(=O)c2ccc(O)cc2)cc1)C(=O)Nc1ccc(CCCc2nnc3c(Cl)c(C)[nH]n23)cc1.CCCCCCCCCCCCC(Oc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)NCCc1nnc2c(Cl)c(C)[nH]n12.CCCCCCCCCCCCC(Oc1ccc(OS(=O)c2ccc(O)cc2)cc1)C(=O)NC(C)Cc1nc2c(Cl)c(C)[nH]n2n1.Cc1[nH]n2c(C)nnc2c1Cl.Cc1[nH]n2c(CCCOS(C)=O)nnc2c1Cl
• InChI: InChI=1S/C38H46ClN5O5S.C34H46ClN5O5S.C31H47ClN6O4S.C9H13ClN4O2S.C6H7ClN4/c1-3-4-5-6-7-8-9-10-13-34(48-31-21-23-32(24-22-31)49-50(47)33-25-19-30(45)20-26-33)38(46)40-29-17-15-28(16-18-29)12-11-14-35-41-42-37-36(39)27(2)43-44(35)37;1-4-5-6-7-8-9-10-11-12-13-14-30(34(42)36-24(2)23-31-37-33-32(35)25(3)38-40(33)39-31)44-27-17-19-28(20-18-27)45-46(43)29-21-15-26(41)16-22-29;1-3-4-5-6-7-8-9-10-11-12-13-27(31(39)33-19-18-28-34-35-30-29(32)24(2)36-38(28)30)42-26-16-14-25(15-17-26)37-20-22-43(40,41)23-21-37;1-6-8(10)9-12-11-7(14(9)13-6)4-3-5-16-17(2)15;1-3-5(7)6-9-8-4(2)11(6)10-3/h15-26,34,43,45H,3-14H2,1-2H3,(H,40,46);15-22,24,30,38,41H,4-14,23H2,1-3H3,(H,36,42);14-17,27,36H,3-13,18-23H2,1-2H3,(H,33,39);13H,3-5H2,1-2H3;10H,1-2H3
• InChIKey: JOXHCVUNEXCBJF-UHFFFAOYSA-N
• XLogP: 24.81
• TPSA: 501.63 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 63
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2475.25
LogP ≤ 5	24.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate?

The IUPAC name of 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate (CID 90755124) is 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate.

What is the SMILES notation for 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate?

The canonical SMILES for 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate is CCCCCCCCCCC(Oc1ccc(OS(=O)c2ccc(O)cc2)cc1)C(=O)Nc1ccc(CCCc2nnc3c(Cl)c(C)[nH]n23)cc1.CCCCCCCCCCCCC(Oc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)NCCc1nnc2c(Cl)c(C)[nH]n12.CCCCCCCCCCCCC(Oc1ccc(OS(=O)c2ccc(O)cc2)cc1)C(=O)NC(C)Cc1nc2c(Cl)c(C)[nH]n2n1.Cc1[nH]n2c(C)nnc2c1Cl.Cc1[nH]n2c(CCCOS(C)=O)nnc2c1Cl.

What is the InChIKey of 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate?

The InChIKey is JOXHCVUNEXCBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46ClN5O5S.C34H46ClN5O5S.C31H47ClN6O4S.C9H13ClN4O2S.C6H7ClN4/c1-3-4-5-6-7-8-9-10-13-34(48-31-21-23-32(24-22-31)49-50(47)33-25-19-30(45)20-26-33)38(46)40-29-17-15-28(16-18-29)12-11-14-35-41-42-37-36(39)27(2)43-44(35)37;1-4-5-6-7-8-9-10-11-12-13-14-30(34(42)36-24(2)23-31-37-33-32(35)25(3)38-40(33)39-31)44-27-17-19-28(20-18-27)45-46(43)29-21-15-26(41)16-22-29;1-3-4-5-6-7-8-9-10-11-12-13-27(31(39)33-19-18-28-34-35-30-29(32)24(2)36-38(28)30)42-26-16-14-25(15-17-26)37-20-22-43(40,41)23-21-37;1-6-8(10)9-12-11-7(14(9)13-6)4-3-5-16-17(2)15;1-3-5(7)6-9-8-4(2)11(6)10-3/h15-26,34,43,45H,3-14H2,1-2H3,(H,40,46);15-22,24,30,38,41H,4-14,23H2,1-3H3,(H,36,42);14-17,27,36H,3-13,18-23H2,1-2H3,(H,33,39);13H,3-5H2,1-2H3;10H,1-2H3.

What are the key properties of 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate?

7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate has a molecular weight of 2475.25 g/mol, XLogP of 24.81, 63 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole;[4-[1-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-ylamino]-1-oxotetradecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;[4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxyphenyl] 4-hydroxybenzenesulfinate;3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl methanesulfinate is sourced from PubChem (CID 90755124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).