N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C135H94F33N55 — CID 159686373

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2c(F)c(F)c(F)c(F)c2F)n2ncnc2n1.Cc1cc(Nc2c(F)c(F)cc(F)c2F)n2ncnc2n1.Cc1cc(Nc2c(F)cc(F)cc2F)n2ncnc2n1.Cc1cc(Nc2c(F)cccc2F)n2ncnc2n1.Cc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2cc(F)c(F)cc2F)n2ncnc2n1.Cc1cc(Nc2cc(F)ccc2F)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(F)c2F)n2ncnc2n1.Cc1cc(Nc2ccc(F)cc2F)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3ncnn23)c(F)c1
InChIInChI=1S/C14H9F6N5.C13H12FN5.C12H6F5N5.C12H7F4N5.3C12H8F3N5.4C12H9F2N5/c1-7-2-11(25-12(23-7)21-6-22-25)24-10-4-8(13(15,16)17)3-9(5-10)14(18,19)20;1-8-3-4-11(10(14)5-8)18-12-6-9(2)17-13-15-7-16-19(12)13;1-4-2-5(22-12(20-4)18-3-19-22)21-11-9(16)7(14)6(13)8(15)10(11)17;1-5-2-8(21-12(19-5)17-4-18-21)20-11-9(15)6(13)3-7(14)10(11)16;1-6-2-11(20-12(18-6)16-5-17-20)19-10-4-8(14)7(13)3-9(10)15;1-6-2-10(20-12(18-6)16-5-17-20)19-11-8(14)3-7(13)4-9(11)15;1-6-4-9(20-12(18-6)16-5-17-20)19-8-3-2-7(13)10(14)11(8)15;1-7-4-11(19-12(17-7)15-6-16-19)18-10-3-2-8(13)5-9(10)14;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8;1-7-4-11(19-12(17-7)15-6-16-19)18-10-5-8(13)2-3-9(10)14;1-7-5-10(19-12(17-7)15-6-16-19)18-11-8(13)3-2-4-9(11)14/h2-6,24H,1H3;3-7,18H,1-2H3;2-3,21H,1H3;2-4,20H,1H3;3*2-5,19H,1H3;4*2-6,18H,1H3
InChIKeyMVVSPROLTGEXGI-UHFFFAOYSA-N
MW3113.56 g/mol
LogP30.04
Rot. Bonds22

About N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159686373) has the molecular formula C135H94F33N55 and a molecular weight of 3113.56 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID159686373
Molecular FormulaC135H94F33N55
Molecular Weight3113.56 g/mol
Exact Mass3111.85
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2c(F)c(F)c(F)c(F)c2F)n2ncnc2n1.Cc1cc(Nc2c(F)c(F)cc(F)c2F)n2ncnc2n1.Cc1cc(Nc2c(F)cc(F)cc2F)n2ncnc2n1.Cc1cc(Nc2c(F)cccc2F)n2ncnc2n1.Cc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2cc(F)c(F)cc2F)n2ncnc2n1.Cc1cc(Nc2cc(F)ccc2F)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(F)c2F)n2ncnc2n1.Cc1cc(Nc2ccc(F)cc2F)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3ncnn23)c(F)c1
InChIInChI=1S/C14H9F6N5.C13H12FN5.C12H6F5N5.C12H7F4N5.3C12H8F3N5.4C12H9F2N5/c1-7-2-11(25-12(23-7)21-6-22-25)24-10-4-8(13(15,16)17)3-9(5-10)14(18,19)20;1-8-3-4-11(10(14)5-8)18-12-6-9(2)17-13-15-7-16-19(12)13;1-4-2-5(22-12(20-4)18-3-19-22)21-11-9(16)7(14)6(13)8(15)10(11)17;1-5-2-8(21-12(19-5)17-4-18-21)20-11-9(15)6(13)3-7(14)10(11)16;1-6-2-11(20-12(18-6)16-5-17-20)19-10-4-8(14)7(13)3-9(10)15;1-6-2-10(20-12(18-6)16-5-17-20)19-11-8(14)3-7(13)4-9(11)15;1-6-4-9(20-12(18-6)16-5-17-20)19-8-3-2-7(13)10(14)11(8)15;1-7-4-11(19-12(17-7)15-6-16-19)18-10-3-2-8(13)5-9(10)14;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8;1-7-4-11(19-12(17-7)15-6-16-19)18-10-5-8(13)2-3-9(10)14;1-7-5-10(19-12(17-7)15-6-16-19)18-11-8(13)3-2-4-9(11)14/h2-6,24H,1H3;3-7,18H,1-2H3;2-3,21H,1H3;2-4,20H,1H3;3*2-5,19H,1H3;4*2-6,18H,1H3
InChIKeyMVVSPROLTGEXGI-UHFFFAOYSA-N
XLogP30.04
TPSA606.21 Ų
H-Bond Donors11
H-Bond Acceptors55
Rotatable Bonds22
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003113.56
LogP ≤ 530.04
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 159686373) is N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2c(F)c(F)c(F)c(F)c2F)n2ncnc2n1.Cc1cc(Nc2c(F)c(F)cc(F)c2F)n2ncnc2n1.Cc1cc(Nc2c(F)cc(F)cc2F)n2ncnc2n1.Cc1cc(Nc2c(F)cccc2F)n2ncnc2n1.Cc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n2ncnc2n1.Cc1cc(Nc2cc(F)c(F)cc2F)n2ncnc2n1.Cc1cc(Nc2cc(F)ccc2F)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(F)c2)n2ncnc2n1.Cc1cc(Nc2ccc(F)c(F)c2F)n2ncnc2n1.Cc1cc(Nc2ccc(F)cc2F)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3ncnn23)c(F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MVVSPROLTGEXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N5.C13H12FN5.C12H6F5N5.C12H7F4N5.3C12H8F3N5.4C12H9F2N5/c1-7-2-11(25-12(23-7)21-6-22-25)24-10-4-8(13(15,16)17)3-9(5-10)14(18,19)20;1-8-3-4-11(10(14)5-8)18-12-6-9(2)17-13-15-7-16-19(12)13;1-4-2-5(22-12(20-4)18-3-19-22)21-11-9(16)7(14)6(13)8(15)10(11)17;1-5-2-8(21-12(19-5)17-4-18-21)20-11-9(15)6(13)3-7(14)10(11)16;1-6-2-11(20-12(18-6)16-5-17-20)19-10-4-8(14)7(13)3-9(10)15;1-6-2-10(20-12(18-6)16-5-17-20)19-11-8(14)3-7(13)4-9(11)15;1-6-4-9(20-12(18-6)16-5-17-20)19-8-3-2-7(13)10(14)11(8)15;1-7-4-11(19-12(17-7)15-6-16-19)18-10-3-2-8(13)5-9(10)14;1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8;1-7-4-11(19-12(17-7)15-6-16-19)18-10-5-8(13)2-3-9(10)14;1-7-5-10(19-12(17-7)15-6-16-19)18-11-8(13)3-2-4-9(11)14/h2-6,24H,1H3;3-7,18H,1-2H3;2-3,21H,1H3;2-4,20H,1H3;3*2-5,19H,1H3;4*2-6,18H,1H3.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 3113.56 g/mol, XLogP of 30.04, 22 rotatable bonds, 11 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,5,6-tetrafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159686373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).