8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C94H70F4N30 — CID 165017071

IUPAC8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)ccn1.Nc1nc(-c2ccccc2)c(-c2cc(F)c3ncccc3c2)c2nncn12.Nc1nc(-c2ccccc2)c(-c2cc3c(c(C(F)(F)F)c2)CN=C3)c2nncn12.Nc1nc(-c2ccccc2)c(-c2ccc3c(c2)C=NC3)c2nncn12
InChIInChI=1S/C20H13F3N6.C20H13FN6.C19H14N6.C18H16N6.C17H14N6/c21-20(22,23)15-7-12(6-13-8-25-9-14(13)15)16-17(11-4-2-1-3-5-11)27-19(24)29-10-26-28-18(16)29;21-15-10-14(9-13-7-4-8-23-17(13)15)16-18(12-5-2-1-3-6-12)25-20(22)27-11-24-26-19(16)27;20-19-23-17(12-4-2-1-3-5-12)16(18-24-22-11-25(18)19)13-6-7-14-9-21-10-15(14)8-13;1-11-8-14(9-12(2)21-11)15-16(13-6-4-3-5-7-13)22-18(19)24-10-20-23-17(15)24;1-11-9-13(7-8-19-11)14-15(12-5-3-2-4-6-12)21-17(18)23-10-20-22-16(14)23/h1-8,10H,9H2,(H2,24,27);1-11H,(H2,22,25);1-8,10-11H,9H2,(H2,20,23);3-10H,1-2H3,(H2,19,22);2-10H,1H3,(H2,18,21)
InChIKeyKOZBWPZIXQNZTI-UHFFFAOYSA-N
MW1695.80 g/mol
LogP16.49
Rot. Bonds10

About 8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 165017071) has the molecular formula C94H70F4N30 and a molecular weight of 1695.80 g/mol. Its IUPAC name is 8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID165017071
Molecular FormulaC94H70F4N30
Molecular Weight1695.80 g/mol
Exact Mass1694.63
IUPAC Name8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)ccn1.Nc1nc(-c2ccccc2)c(-c2cc(F)c3ncccc3c2)c2nncn12.Nc1nc(-c2ccccc2)c(-c2cc3c(c(C(F)(F)F)c2)CN=C3)c2nncn12.Nc1nc(-c2ccccc2)c(-c2ccc3c(c2)C=NC3)c2nncn12
InChIInChI=1S/C20H13F3N6.C20H13FN6.C19H14N6.C18H16N6.C17H14N6/c21-20(22,23)15-7-12(6-13-8-25-9-14(13)15)16-17(11-4-2-1-3-5-11)27-19(24)29-10-26-28-18(16)29;21-15-10-14(9-13-7-4-8-23-17(13)15)16-18(12-5-2-1-3-6-12)25-20(22)27-11-24-26-19(16)27;20-19-23-17(12-4-2-1-3-5-12)16(18-24-22-11-25(18)19)13-6-7-14-9-21-10-15(14)8-13;1-11-8-14(9-12(2)21-11)15-16(13-6-4-3-5-7-13)22-18(19)24-10-20-23-17(15)24;1-11-9-13(7-8-19-11)14-15(12-5-3-2-4-6-12)21-17(18)23-10-20-22-16(14)23/h1-8,10H,9H2,(H2,24,27);1-11H,(H2,22,25);1-8,10-11H,9H2,(H2,20,23);3-10H,1-2H3,(H2,19,22);2-10H,1H3,(H2,18,21)
InChIKeyKOZBWPZIXQNZTI-UHFFFAOYSA-N
XLogP16.49
TPSA408.89 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001695.80
LogP ≤ 516.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
7-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837300
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301
7-[2,6-difluoro-4-[(1S,4S)-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837401

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 165017071) is 8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)ccn1.Nc1nc(-c2ccccc2)c(-c2cc(F)c3ncccc3c2)c2nncn12.Nc1nc(-c2ccccc2)c(-c2cc3c(c(C(F)(F)F)c2)CN=C3)c2nncn12.Nc1nc(-c2ccccc2)c(-c2ccc3c(c2)C=NC3)c2nncn12.
What is the InChIKey of 8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is KOZBWPZIXQNZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6.C20H13FN6.C19H14N6.C18H16N6.C17H14N6/c21-20(22,23)15-7-12(6-13-8-25-9-14(13)15)16-17(11-4-2-1-3-5-11)27-19(24)29-10-26-28-18(16)29;21-15-10-14(9-13-7-4-8-23-17(13)15)16-18(12-5-2-1-3-6-12)25-20(22)27-11-24-26-19(16)27;20-19-23-17(12-4-2-1-3-5-12)16(18-24-22-11-25(18)19)13-6-7-14-9-21-10-15(14)8-13;1-11-8-14(9-12(2)21-11)15-16(13-6-4-3-5-7-13)22-18(19)24-10-20-23-17(15)24;1-11-9-13(7-8-19-11)14-15(12-5-3-2-4-6-12)21-17(18)23-10-20-22-16(14)23/h1-8,10H,9H2,(H2,24,27);1-11H,(H2,22,25);1-8,10-11H,9H2,(H2,20,23);3-10H,1-2H3,(H2,19,22);2-10H,1H3,(H2,18,21).
What are the key properties of 8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 1695.80 g/mol, XLogP of 16.49, 10 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 165017071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).