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

C106H148Cl2N34O8S3 — CID 159843609

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

4-N-[(3-aminophenyl)methyl]-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;N-[3-[[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride (PubChem CID 159843609) has the molecular formula C106H148Cl2N34O8S3 and a molecular weight of 2193.69 g/mol. Its IUPAC name is 4-N-[(3-aminophenyl)methyl]-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;N-[3-[[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 4-N-[(3-aminophenyl)methyl]-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;N-[3-[[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride
• PubChem CID: 159843609
• Molecular Formula: C106H148Cl2N34O8S3
• Molecular Weight: 2193.69 g/mol
• Exact Mass: 2191.08
• IUPAC Name: 4-N-[(3-aminophenyl)methyl]-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;N-[3-[[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cccc(CNc2nc(NC3CCC(N(C)C)CC3)nc3c(CC)cnn23)c1.CCc1cnn2c(Cl)nc(SC)nc12.CCc1cnn2c(NCc3cccc(N)c3)nc(NC3CCC(N(C)C)CC3)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)nc(S(C)(=O)=O)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)nc(SC)nc12.CN(C)C1CCC(N)CC1
• InChI: InChI=1S/C25H34N8O.C22H32N8.C20H26N6O4S.C20H26N6O2S.C8H9ClN4S.C8H18N2.C3H3ClO/c1-5-18-16-27-33-23(18)30-24(29-19-10-12-21(13-11-19)32(3)4)31-25(33)26-15-17-8-7-9-20(14-17)28-22(34)6-2;1-4-16-14-25-30-20(16)27-21(26-18-8-10-19(11-9-18)29(2)3)28-22(30)24-13-15-6-5-7-17(23)12-15;1-6-14-12-22-26-16(14)24-18(31(5,28)29)25-17(26)21-11-13-8-7-9-15(10-13)23-19(27)30-20(2,3)4;1-6-14-12-22-26-16(14)24-18(29-5)25-17(26)21-11-13-8-7-9-15(10-13)23-19(27)28-20(2,3)4;1-3-5-4-10-13-6(5)11-8(14-2)12-7(13)9;1-10(2)8-5-3-7(9)4-6-8;1-2-3(4)5/h6-9,14,16,19,21H,2,5,10-13,15H2,1,3-4H3,(H,28,34)(H2,26,29,30,31);5-7,12,14,18-19H,4,8-11,13,23H2,1-3H3,(H2,24,26,27,28);7-10,12H,6,11H2,1-5H3,(H,23,27)(H,21,24,25);7-10,12H,6,11H2,1-5H3,(H,23,27)(H,21,24,25);4H,3H2,1-2H3;7-8H,3-6,9H2,1-2H3;2H,1H2
• InChIKey: NOZUHOWDOWODAL-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 506.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 32
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.69
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

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

The IUPAC name of 4-N-[(3-aminophenyl)methyl]-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;N-[3-[[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride (CID 159843609) is 4-N-[(3-aminophenyl)methyl]-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;N-[3-[[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride.

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

The canonical SMILES for 4-N-[(3-aminophenyl)methyl]-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;N-[3-[[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cccc(CNc2nc(NC3CCC(N(C)C)CC3)nc3c(CC)cnn23)c1.CCc1cnn2c(Cl)nc(SC)nc12.CCc1cnn2c(NCc3cccc(N)c3)nc(NC3CCC(N(C)C)CC3)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)nc(S(C)(=O)=O)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)nc(SC)nc12.CN(C)C1CCC(N)CC1.

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

The InChIKey is NOZUHOWDOWODAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O.C22H32N8.C20H26N6O4S.C20H26N6O2S.C8H9ClN4S.C8H18N2.C3H3ClO/c1-5-18-16-27-33-23(18)30-24(29-19-10-12-21(13-11-19)32(3)4)31-25(33)26-15-17-8-7-9-20(14-17)28-22(34)6-2;1-4-16-14-25-30-20(16)27-21(26-18-8-10-19(11-9-18)29(2)3)28-22(30)24-13-15-6-5-7-17(23)12-15;1-6-14-12-22-26-16(14)24-18(31(5,28)29)25-17(26)21-11-13-8-7-9-15(10-13)23-19(27)30-20(2,3)4;1-6-14-12-22-26-16(14)24-18(29-5)25-17(26)21-11-13-8-7-9-15(10-13)23-19(27)28-20(2,3)4;1-3-5-4-10-13-6(5)11-8(14-2)12-7(13)9;1-10(2)8-5-3-7(9)4-6-8;1-2-3(4)5/h6-9,14,16,19,21H,2,5,10-13,15H2,1,3-4H3,(H,28,34)(H2,26,29,30,31);5-7,12,14,18-19H,4,8-11,13,23H2,1-3H3,(H2,24,26,27,28);7-10,12H,6,11H2,1-5H3,(H,23,27)(H,21,24,25);7-10,12H,6,11H2,1-5H3,(H,23,27)(H,21,24,25);4H,3H2,1-2H3;7-8H,3-6,9H2,1-2H3;2H,1H2.

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

4-N-[(3-aminophenyl)methyl]-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;N-[3-[[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride has a molecular weight of 2193.69 g/mol, XLogP of 18.11, 32 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[(3-aminophenyl)methyl]-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;N-[3-[[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride is sourced from PubChem (CID 159843609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).