4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one

C123H120F8N32O11 — CID 162007688

IUPAC4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
SMILESCCC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(C)c2nnc(C)n21.COC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(C)c2nnc(C)n21.Cc1nnc2n1C(C)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2CC(F)(F)F.Cc1nnc2n1C(N(C)C)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2.Cc1nnc2n1C(N(C)C)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2C
InChIInChI=1S/C25H22F4N6O2.C25H26FN7O2.C25H25FN6O2.C24H24FN7O2.C24H23FN6O3/c1-13-12-34(21(11-25(27,28)29)22-32-30-14(2)35(13)22)24(37)18-9-15(7-8-19(18)26)10-20-16-5-3-4-6-17(16)23(36)33-31-20;1-14-23-29-27-15(2)33(23)22(31(3)4)13-32(14)25(35)19-11-16(9-10-20(19)26)12-21-17-7-5-6-8-18(17)24(34)30-28-21;1-4-17-13-31(14(2)23-29-27-15(3)32(17)23)25(34)20-11-16(9-10-21(20)26)12-22-18-7-5-6-8-19(18)24(33)30-28-22;1-14-26-28-21-12-31(13-22(30(2)3)32(14)21)24(34)18-10-15(8-9-19(18)25)11-20-16-6-4-5-7-17(16)23(33)29-27-20;1-13-22-28-26-14(2)31(22)21(34-3)12-30(13)24(33)18-10-15(8-9-19(18)25)11-20-16-6-4-5-7-17(16)23(32)29-27-20/h3-9,13,21H,10-12H2,1-2H3,(H,33,36);5-11,14,22H,12-13H2,1-4H3,(H,30,34);5-11,14,17H,4,12-13H2,1-3H3,(H,30,33);4-10,22H,11-13H2,1-3H3,(H,29,33);4-10,13,21H,11-12H2,1-3H3,(H,29,32)
InChIKeyYTBBGCKGYYWCIJ-UHFFFAOYSA-N
MW2374.51 g/mol
LogP16.00
Rot. Bonds20

About 4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one

4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one (PubChem CID 162007688) has the molecular formula C123H120F8N32O11 and a molecular weight of 2374.51 g/mol. Its IUPAC name is 4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
PubChem CID162007688
Molecular FormulaC123H120F8N32O11
Molecular Weight2374.51 g/mol
Exact Mass2372.97
IUPAC Name4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
SMILESCCC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(C)c2nnc(C)n21.COC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(C)c2nnc(C)n21.Cc1nnc2n1C(C)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2CC(F)(F)F.Cc1nnc2n1C(N(C)C)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2.Cc1nnc2n1C(N(C)C)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2C
InChIInChI=1S/C25H22F4N6O2.C25H26FN7O2.C25H25FN6O2.C24H24FN7O2.C24H23FN6O3/c1-13-12-34(21(11-25(27,28)29)22-32-30-14(2)35(13)22)24(37)18-9-15(7-8-19(18)26)10-20-16-5-3-4-6-17(16)23(36)33-31-20;1-14-23-29-27-15(2)33(23)22(31(3)4)13-32(14)25(35)19-11-16(9-10-20(19)26)12-21-17-7-5-6-8-18(17)24(34)30-28-21;1-4-17-13-31(14(2)23-29-27-15(3)32(17)23)25(34)20-11-16(9-10-21(20)26)12-22-18-7-5-6-8-19(18)24(33)30-28-22;1-14-26-28-21-12-31(13-22(30(2)3)32(14)21)24(34)18-10-15(8-9-19(18)25)11-20-16-6-4-5-7-17(16)23(33)29-27-20;1-13-22-28-26-14(2)31(22)21(34-3)12-30(13)24(33)18-10-15(8-9-19(18)25)11-20-16-6-4-5-7-17(16)23(32)29-27-20/h3-9,13,21H,10-12H2,1-2H3,(H,33,36);5-11,14,22H,12-13H2,1-4H3,(H,30,34);5-11,14,17H,4,12-13H2,1-3H3,(H,30,33);4-10,22H,11-13H2,1-3H3,(H,29,33);4-10,13,21H,11-12H2,1-3H3,(H,29,32)
InChIKeyYTBBGCKGYYWCIJ-UHFFFAOYSA-N
XLogP16.00
TPSA499.56 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002374.51
LogP ≤ 516.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one (CID 162007688) is 4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one is CCC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(C)c2nnc(C)n21.COC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(C)c2nnc(C)n21.Cc1nnc2n1C(C)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2CC(F)(F)F.Cc1nnc2n1C(N(C)C)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2.Cc1nnc2n1C(N(C)C)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2C.
What is the InChIKey of 4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one?
The InChIKey is YTBBGCKGYYWCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6O2.C25H26FN7O2.C25H25FN6O2.C24H24FN7O2.C24H23FN6O3/c1-13-12-34(21(11-25(27,28)29)22-32-30-14(2)35(13)22)24(37)18-9-15(7-8-19(18)26)10-20-16-5-3-4-6-17(16)23(36)33-31-20;1-14-23-29-27-15(2)33(23)22(31(3)4)13-32(14)25(35)19-11-16(9-10-20(19)26)12-21-17-7-5-6-8-18(17)24(34)30-28-21;1-4-17-13-31(14(2)23-29-27-15(3)32(17)23)25(34)20-11-16(9-10-21(20)26)12-22-18-7-5-6-8-19(18)24(33)30-28-22;1-14-26-28-21-12-31(13-22(30(2)3)32(14)21)24(34)18-10-15(8-9-19(18)25)11-20-16-6-4-5-7-17(16)23(33)29-27-20;1-13-22-28-26-14(2)31(22)21(34-3)12-30(13)24(33)18-10-15(8-9-19(18)25)11-20-16-6-4-5-7-17(16)23(32)29-27-20/h3-9,13,21H,10-12H2,1-2H3,(H,33,36);5-11,14,22H,12-13H2,1-4H3,(H,30,34);5-11,14,17H,4,12-13H2,1-3H3,(H,30,33);4-10,22H,11-13H2,1-3H3,(H,29,33);4-10,13,21H,11-12H2,1-3H3,(H,29,32).
What are the key properties of 4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one?
4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one has a molecular weight of 2374.51 g/mol, XLogP of 16.00, 20 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(dimethylamino)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[5-(dimethylamino)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-[3,5-dimethyl-8-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(5-ethyl-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(5-methoxy-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 162007688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).