4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride

C73H103ClN24O6S — CID 167688528

About 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride

4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride (PubChem CID 167688528) has the molecular formula C73H103ClN24O6S and a molecular weight of 1480.31 g/mol. Its IUPAC name is 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride
• PubChem CID: 167688528
• Molecular Formula: C73H103ClN24O6S
• Molecular Weight: 1480.31 g/mol
• Exact Mass: 1478.79
• IUPAC Name: 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cccc(Nc2nc(NC3CCC(N(C)C)CC3)nc3c(CC)cnn23)c1.CCc1cnn2c(Nc3cccc(N)c3)nc(NC3CCC(N(C)C)CC3)nc12.CCc1cnn2c(Nc3cccc(NC(=O)OC(C)(C)C)c3)nc(S(C)(=O)=O)nc12.NC1CCC(N)CC1
• InChI: InChI=1S/C24H32N8O.C21H30N8.C19H24N6O4S.C6H14N2.C3H3ClO/c1-5-16-15-25-32-22(16)29-23(27-17-10-12-20(13-11-17)31(3)4)30-24(32)28-19-9-7-8-18(14-19)26-21(33)6-2;1-4-14-13-23-29-19(14)26-20(24-16-8-10-18(11-9-16)28(2)3)27-21(29)25-17-7-5-6-15(22)12-17;1-6-12-11-20-25-15(12)23-17(30(5,27)28)24-16(25)21-13-8-7-9-14(10-13)22-18(26)29-19(2,3)4;7-5-1-2-6(8)4-3-5;1-2-3(4)5/h6-9,14-15,17,20H,2,5,10-13H2,1,3-4H3,(H,26,33)(H2,27,28,29,30);5-7,12-13,16,18H,4,8-11,22H2,1-3H3,(H2,24,25,26,27);7-11H,6H2,1-5H3,(H,22,26)(H,21,23,24);5-6H,1-4,7-8H2;2H,1H2
• InChIKey: WOQJDVMQZFYDME-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 392.57 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1480.31
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride?

The IUPAC name of 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride (CID 167688528) is 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride.

What is the SMILES notation for 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride?

The canonical SMILES for 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cccc(Nc2nc(NC3CCC(N(C)C)CC3)nc3c(CC)cnn23)c1.CCc1cnn2c(Nc3cccc(N)c3)nc(NC3CCC(N(C)C)CC3)nc12.CCc1cnn2c(Nc3cccc(NC(=O)OC(C)(C)C)c3)nc(S(C)(=O)=O)nc12.NC1CCC(N)CC1.

What is the InChIKey of 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride?

The InChIKey is WOQJDVMQZFYDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O.C21H30N8.C19H24N6O4S.C6H14N2.C3H3ClO/c1-5-16-15-25-32-22(16)29-23(27-17-10-12-20(13-11-17)31(3)4)30-24(32)28-19-9-7-8-18(14-19)26-21(33)6-2;1-4-14-13-23-29-19(14)26-20(24-16-8-10-18(11-9-16)28(2)3)27-21(29)25-17-7-5-6-15(22)12-17;1-6-12-11-20-25-15(12)23-17(30(5,27)28)24-16(25)21-13-8-7-9-14(10-13)22-18(26)29-19(2,3)4;7-5-1-2-6(8)4-3-5;1-2-3(4)5/h6-9,14-15,17,20H,2,5,10-13H2,1,3-4H3,(H,26,33)(H2,27,28,29,30);5-7,12-13,16,18H,4,8-11,22H2,1-3H3,(H2,24,25,26,27);7-11H,6H2,1-5H3,(H,22,26)(H,21,23,24);5-6H,1-4,7-8H2;2H,1H2.

What are the key properties of 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride?

4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride has a molecular weight of 1480.31 g/mol, XLogP of 11.47, 20 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(3-aminophenyl)-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]phenyl]carbamate;cyclohexane-1,4-diamine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride is sourced from PubChem (CID 167688528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).