3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

C165H140F44N40O22 — CID 163628616

IUPAC3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C)nn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3COC)cn12.CCOCc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C)nn12.COC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C)nn12.COC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)c(C)c3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(COC)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OC(C)C)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OC3CC3)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OCC3CC3)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(COCC3CC3)nnc2cn1
InChIInChI=1S/C18H15F5N4O2.C18H17F3N4O2.C17H15F5N4O3.C17H13F5N4O2.C17H15F5N4O2.C16H13F5N4O2.C16H15F3N4O3.C16H15F3N4O2.2C15H11F5N4O2/c1-10-6-12(29-18(21,22)23)4-5-13(10)14-8-27-15(7-24-14)25-26-16(27)17(19,20)28-9-11-2-3-11;1-11-6-13(27-18(19,20)21)4-5-14(11)15-8-25-16(7-22-15)23-24-17(25)10-26-9-12-2-3-12;1-3-28-16(18,19)15-25-24-14-7-23-13(8-26(14)15)12-5-4-11(29-17(20,21)22)6-10(12)9-27-2;1-9-6-11(28-17(20,21)22)4-5-12(9)13-8-26-14(7-23-13)24-25-15(26)16(18,19)27-10-2-3-10;1-9(2)27-16(18,19)15-25-24-14-7-23-13(8-26(14)15)12-5-4-11(6-10(12)3)28-17(20,21)22;1-3-26-15(17,18)14-23-22-13-7-6-12(24-25(13)14)11-5-4-10(8-9(11)2)27-16(19,20)21;1-24-8-10-5-11(26-16(17,18)19)3-4-12(10)13-7-23-14(6-20-13)21-22-15(23)9-25-2;1-3-24-9-15-21-20-14-7-6-13(22-23(14)15)12-5-4-11(8-10(12)2)25-16(17,18)19;1-8-5-9(3-4-11(8)26-15(18,19)20)10-7-24-12(6-21-10)22-23-13(24)14(16,17)25-2;1-8-7-9(26-15(18,19)20)3-4-10(8)11-5-6-12-21-22-13(24(12)23-11)14(16,17)25-2/h4-8,11H,2-3,9H2,1H3;4-8,12H,2-3,9-10H2,1H3;4-8H,3,9H2,1-2H3;4-8,10H,2-3H2,1H3;4-9H,1-3H3;4-8H,3H2,1-2H3;3-7H,8-9H2,1-2H3;4-8H,3,9H2,1-2H3;2*3-7H,1-2H3
InChIKeyHUDDZWALIBTCNI-UHFFFAOYSA-N
MW3871.10 g/mol
LogP39.01
Rot. Bonds53

About 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 163628616) has the molecular formula C165H140F44N40O22 and a molecular weight of 3871.10 g/mol. Its IUPAC name is 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID163628616
Molecular FormulaC165H140F44N40O22
Molecular Weight3871.10 g/mol
Exact Mass3869.04
IUPAC Name3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C)nn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3COC)cn12.CCOCc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C)nn12.COC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C)nn12.COC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)c(C)c3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(COC)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OC(C)C)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OC3CC3)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OCC3CC3)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(COCC3CC3)nnc2cn1
InChIInChI=1S/C18H15F5N4O2.C18H17F3N4O2.C17H15F5N4O3.C17H13F5N4O2.C17H15F5N4O2.C16H13F5N4O2.C16H15F3N4O3.C16H15F3N4O2.2C15H11F5N4O2/c1-10-6-12(29-18(21,22)23)4-5-13(10)14-8-27-15(7-24-14)25-26-16(27)17(19,20)28-9-11-2-3-11;1-11-6-13(27-18(19,20)21)4-5-14(11)15-8-25-16(7-22-15)23-24-17(25)10-26-9-12-2-3-12;1-3-28-16(18,19)15-25-24-14-7-23-13(8-26(14)15)12-5-4-11(29-17(20,21)22)6-10(12)9-27-2;1-9-6-11(28-17(20,21)22)4-5-12(9)13-8-26-14(7-23-13)24-25-15(26)16(18,19)27-10-2-3-10;1-9(2)27-16(18,19)15-25-24-14-7-23-13(8-26(14)15)12-5-4-11(6-10(12)3)28-17(20,21)22;1-3-26-15(17,18)14-23-22-13-7-6-12(24-25(13)14)11-5-4-10(8-9(11)2)27-16(19,20)21;1-24-8-10-5-11(26-16(17,18)19)3-4-12(10)13-7-23-14(6-20-13)21-22-15(23)9-25-2;1-3-24-9-15-21-20-14-7-6-13(22-23(14)15)12-5-4-11(8-10(12)2)25-16(17,18)19;1-8-5-9(3-4-11(8)26-15(18,19)20)10-7-24-12(6-21-10)22-23-13(24)14(16,17)25-2;1-8-7-9(26-15(18,19)20)3-4-10(8)11-5-6-12-21-22-13(24(12)23-11)14(16,17)25-2/h4-8,11H,2-3,9H2,1H3;4-8,12H,2-3,9-10H2,1H3;4-8H,3,9H2,1-2H3;4-8,10H,2-3H2,1H3;4-9H,1-3H3;4-8H,3H2,1-2H3;3-7H,8-9H2,1-2H3;4-8H,3,9H2,1-2H3;2*3-7H,1-2H3
InChIKeyHUDDZWALIBTCNI-UHFFFAOYSA-N
XLogP39.01
TPSA633.86 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds53
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003871.10
LogP ≤ 539.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Analyze 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 163628616) is 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is CCOC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C)nn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3COC)cn12.CCOCc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C)nn12.COC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C)nn12.COC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)c(C)c3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(COC)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OC(C)C)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OC3CC3)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)OCC3CC3)nnc2cn1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(COCC3CC3)nnc2cn1.
What is the InChIKey of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HUDDZWALIBTCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N4O2.C18H17F3N4O2.C17H15F5N4O3.C17H13F5N4O2.C17H15F5N4O2.C16H13F5N4O2.C16H15F3N4O3.C16H15F3N4O2.2C15H11F5N4O2/c1-10-6-12(29-18(21,22)23)4-5-13(10)14-8-27-15(7-24-14)25-26-16(27)17(19,20)28-9-11-2-3-11;1-11-6-13(27-18(19,20)21)4-5-14(11)15-8-25-16(7-22-15)23-24-17(25)10-26-9-12-2-3-12;1-3-28-16(18,19)15-25-24-14-7-23-13(8-26(14)15)12-5-4-11(29-17(20,21)22)6-10(12)9-27-2;1-9-6-11(28-17(20,21)22)4-5-12(9)13-8-26-14(7-23-13)24-25-15(26)16(18,19)27-10-2-3-10;1-9(2)27-16(18,19)15-25-24-14-7-23-13(8-26(14)15)12-5-4-11(6-10(12)3)28-17(20,21)22;1-3-26-15(17,18)14-23-22-13-7-6-12(24-25(13)14)11-5-4-10(8-9(11)2)27-16(19,20)21;1-24-8-10-5-11(26-16(17,18)19)3-4-12(10)13-7-23-14(6-20-13)21-22-15(23)9-25-2;1-3-24-9-15-21-20-14-7-6-13(22-23(14)15)12-5-4-11(8-10(12)2)25-16(17,18)19;1-8-5-9(3-4-11(8)26-15(18,19)20)10-7-24-12(6-21-10)22-23-13(24)14(16,17)25-2;1-8-7-9(26-15(18,19)20)3-4-10(8)11-5-6-12-21-22-13(24(12)23-11)14(16,17)25-2/h4-8,11H,2-3,9H2,1H3;4-8,12H,2-3,9-10H2,1H3;4-8H,3,9H2,1-2H3;4-8,10H,2-3H2,1H3;4-9H,1-3H3;4-8H,3H2,1-2H3;3-7H,8-9H2,1-2H3;4-8H,3,9H2,1-2H3;2*3-7H,1-2H3.
What are the key properties of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 3871.10 g/mol, XLogP of 39.01, 53 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(cyclopropylmethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[3-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(propan-2-yloxy)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(ethoxymethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(methoxymethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 163628616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).