6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole

C67H54F9N25 — CID 158911438

IUPAC6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole
SMILESC#CCc1cn(-c2cc(F)c(F)c(F)c2)nn1.C#CCc1cn(-c2ccc(C(F)(F)F)cc2)nn1.C#CCc1cn(-c2ccncc2)nn1.CCc1nc(N)nc(N)c1C#CCc1cn(-c2ccc(C(F)(F)F)cc2)nn1.CCc1nc(N)nc(N)c1C#CCc1cn(-c2ccncc2)nn1
InChIInChI=1S/C18H16F3N7.C16H16N8.C12H8F3N3.C11H6F3N3.C10H8N4/c1-2-15-14(16(22)25-17(23)24-15)5-3-4-12-10-28(27-26-12)13-8-6-11(7-9-13)18(19,20)21;1-2-14-13(15(17)21-16(18)20-14)5-3-4-11-10-24(23-22-11)12-6-8-19-9-7-12;1-2-3-10-8-18(17-16-10)11-6-4-9(5-7-11)12(13,14)15;1-2-3-7-6-17(16-15-7)8-4-9(12)11(14)10(13)5-8;1-2-3-9-8-14(13-12-9)10-4-6-11-7-5-10/h6-10H,2,4H2,1H3,(H4,22,23,24,25);6-10H,2,4H2,1H3,(H4,17,18,20,21);1,4-8H,3H2;1,4-6H,3H2;1,4-8H,3H2
InChIKeyJGRWXBAEEGOPJM-UHFFFAOYSA-N
MW1380.33 g/mol
LogP8.33
Rot. Bonds12

About 6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole

6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole (PubChem CID 158911438) has the molecular formula C67H54F9N25 and a molecular weight of 1380.33 g/mol. Its IUPAC name is 6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole.

Molecular Properties

Compound Name6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole
PubChem CID158911438
Molecular FormulaC67H54F9N25
Molecular Weight1380.33 g/mol
Exact Mass1379.49
IUPAC Name6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole
SMILESC#CCc1cn(-c2cc(F)c(F)c(F)c2)nn1.C#CCc1cn(-c2ccc(C(F)(F)F)cc2)nn1.C#CCc1cn(-c2ccncc2)nn1.CCc1nc(N)nc(N)c1C#CCc1cn(-c2ccc(C(F)(F)F)cc2)nn1.CCc1nc(N)nc(N)c1C#CCc1cn(-c2ccncc2)nn1
InChIInChI=1S/C18H16F3N7.C16H16N8.C12H8F3N3.C11H6F3N3.C10H8N4/c1-2-15-14(16(22)25-17(23)24-15)5-3-4-12-10-28(27-26-12)13-8-6-11(7-9-13)18(19,20)21;1-2-14-13(15(17)21-16(18)20-14)5-3-4-11-10-24(23-22-11)12-6-8-19-9-7-12;1-2-3-10-8-18(17-16-10)11-6-4-9(5-7-11)12(13,14)15;1-2-3-7-6-17(16-15-7)8-4-9(12)11(14)10(13)5-8;1-2-3-9-8-14(13-12-9)10-4-6-11-7-5-10/h6-10H,2,4H2,1H3,(H4,22,23,24,25);6-10H,2,4H2,1H3,(H4,17,18,20,21);1,4-8H,3H2;1,4-6H,3H2;1,4-8H,3H2
InChIKeyJGRWXBAEEGOPJM-UHFFFAOYSA-N
XLogP8.33
TPSA334.97 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.33
LogP ≤ 58.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole with MolForge

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Related Compounds

2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399576
2-[1-(3,4,5-trifluorophenyl)triazol-4-yl]ethanamine
CID 116641604
6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10265764
6-ethyl-5-[3-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]but-1-ynyl]pyrimidine-2,4-diamine
CID 134125725
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399751
1-amino-5-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pentan-3-ol
CID 155953301
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121195973
6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine
CID 126722663
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018
1-(3,4,5-trifluorophenyl)triazol-4-amine
CID 79507454
3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 122451400
3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113374463

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole?
The IUPAC name of 6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole (CID 158911438) is 6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole.
What is the SMILES notation for 6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole?
The canonical SMILES for 6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole is C#CCc1cn(-c2cc(F)c(F)c(F)c2)nn1.C#CCc1cn(-c2ccc(C(F)(F)F)cc2)nn1.C#CCc1cn(-c2ccncc2)nn1.CCc1nc(N)nc(N)c1C#CCc1cn(-c2ccc(C(F)(F)F)cc2)nn1.CCc1nc(N)nc(N)c1C#CCc1cn(-c2ccncc2)nn1.
What is the InChIKey of 6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole?
The InChIKey is JGRWXBAEEGOPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7.C16H16N8.C12H8F3N3.C11H6F3N3.C10H8N4/c1-2-15-14(16(22)25-17(23)24-15)5-3-4-12-10-28(27-26-12)13-8-6-11(7-9-13)18(19,20)21;1-2-14-13(15(17)21-16(18)20-14)5-3-4-11-10-24(23-22-11)12-6-8-19-9-7-12;1-2-3-10-8-18(17-16-10)11-6-4-9(5-7-11)12(13,14)15;1-2-3-7-6-17(16-15-7)8-4-9(12)11(14)10(13)5-8;1-2-3-9-8-14(13-12-9)10-4-6-11-7-5-10/h6-10H,2,4H2,1H3,(H4,22,23,24,25);6-10H,2,4H2,1H3,(H4,17,18,20,21);1,4-8H,3H2;1,4-6H,3H2;1,4-8H,3H2.
What are the key properties of 6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole?
6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole has a molecular weight of 1380.33 g/mol, XLogP of 8.33, 12 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[3-(1-pyridin-4-yltriazol-4-yl)prop-1-ynyl]pyrimidine-2,4-diamine;6-ethyl-5-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]prop-1-ynyl]pyrimidine-2,4-diamine;4-(4-prop-2-ynyltriazol-1-yl)pyridine;4-prop-2-ynyl-1-[4-(trifluoromethyl)phenyl]triazole;4-prop-2-ynyl-1-(3,4,5-trifluorophenyl)triazole is sourced from PubChem (CID 158911438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).