1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine

C92H81ClF2N40 — CID 160682960

IUPAC1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)cc1.Cc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)c1.Nc1nc(Nc2ccc(Cl)cc2)nn1-c1cc(Nc2ccccc2)ncn1.Nc1nc(Nc2ccc(F)cc2)nn1-c1cc(Nc2ccccc2)ncn1.Nc1nc(Nc2cccc(F)c2)nn1-c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/2C19H18N8.C18H15ClN8.2C18H15FN8/c1-13-6-5-9-15(10-13)24-19-25-18(20)27(26-19)17-11-16(21-12-22-17)23-14-7-3-2-4-8-14;1-13-7-9-15(10-8-13)24-19-25-18(20)27(26-19)17-11-16(21-12-22-17)23-14-5-3-2-4-6-14;19-12-6-8-14(9-7-12)24-18-25-17(20)27(26-18)16-10-15(21-11-22-16)23-13-4-2-1-3-5-13;19-12-5-4-8-14(9-12)24-18-25-17(20)27(26-18)16-10-15(21-11-22-16)23-13-6-2-1-3-7-13;19-12-6-8-14(9-7-12)24-18-25-17(20)27(26-18)16-10-15(21-11-22-16)23-13-4-2-1-3-5-13/h2*2-12H,1H3,(H,21,22,23)(H3,20,24,25,26);3*1-11H,(H,21,22,23)(H3,20,24,25,26)
InChIKeyROJUQZDLLVRVBL-UHFFFAOYSA-N
MW1820.39 g/mol
LogP17.18
Rot. Bonds25

About 1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine

1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 160682960) has the molecular formula C92H81ClF2N40 and a molecular weight of 1820.39 g/mol. Its IUPAC name is 1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
PubChem CID160682960
Molecular FormulaC92H81ClF2N40
Molecular Weight1820.39 g/mol
Exact Mass1818.72
IUPAC Name1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)cc1.Cc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)c1.Nc1nc(Nc2ccc(Cl)cc2)nn1-c1cc(Nc2ccccc2)ncn1.Nc1nc(Nc2ccc(F)cc2)nn1-c1cc(Nc2ccccc2)ncn1.Nc1nc(Nc2cccc(F)c2)nn1-c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/2C19H18N8.C18H15ClN8.2C18H15FN8/c1-13-6-5-9-15(10-13)24-19-25-18(20)27(26-19)17-11-16(21-12-22-17)23-14-7-3-2-4-8-14;1-13-7-9-15(10-8-13)24-19-25-18(20)27(26-19)17-11-16(21-12-22-17)23-14-5-3-2-4-6-14;19-12-6-8-14(9-7-12)24-18-25-17(20)27(26-18)16-10-15(21-11-22-16)23-13-4-2-1-3-5-13;19-12-5-4-8-14(9-12)24-18-25-17(20)27(26-18)16-10-15(21-11-22-16)23-13-6-2-1-3-7-13;19-12-6-8-14(9-7-12)24-18-25-17(20)27(26-18)16-10-15(21-11-22-16)23-13-4-2-1-3-5-13/h2*2-12H,1H3,(H,21,22,23)(H3,20,24,25,26);3*1-11H,(H,21,22,23)(H3,20,24,25,26)
InChIKeyROJUQZDLLVRVBL-UHFFFAOYSA-N
XLogP17.18
TPSA532.85 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds25
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001820.39
LogP ≤ 517.18
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Analyze 1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 157285649
N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine
CID 157404048
N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 158867279
N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 159487499
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
2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine)
CID 161339668
6-chloro-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;tris(2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;2-methoxy-5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5,6-trimethyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 161978443
7-(4-Chlorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 157872208
6-[2-(4-chloro-2-fluorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[2-(4-chloro-2-fluorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 157934066
N-(4-chlorophenyl)-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-(4-fluorophenyl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylphenyl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-phenylpyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine
CID 158012117
6-chloro-N-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine;2-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 158017310
1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158037733

Frequently Asked Questions

What is the IUPAC name of 1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine (CID 160682960) is 1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine is Cc1ccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)cc1.Cc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)c1.Nc1nc(Nc2ccc(Cl)cc2)nn1-c1cc(Nc2ccccc2)ncn1.Nc1nc(Nc2ccc(F)cc2)nn1-c1cc(Nc2ccccc2)ncn1.Nc1nc(Nc2cccc(F)c2)nn1-c1cc(Nc2ccccc2)ncn1.
What is the InChIKey of 1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine?
The InChIKey is ROJUQZDLLVRVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H18N8.C18H15ClN8.2C18H15FN8/c1-13-6-5-9-15(10-13)24-19-25-18(20)27(26-19)17-11-16(21-12-22-17)23-14-7-3-2-4-8-14;1-13-7-9-15(10-8-13)24-19-25-18(20)27(26-19)17-11-16(21-12-22-17)23-14-5-3-2-4-6-14;19-12-6-8-14(9-7-12)24-18-25-17(20)27(26-18)16-10-15(21-11-22-16)23-13-4-2-1-3-5-13;19-12-5-4-8-14(9-12)24-18-25-17(20)27(26-18)16-10-15(21-11-22-16)23-13-6-2-1-3-7-13;19-12-6-8-14(9-7-12)24-18-25-17(20)27(26-18)16-10-15(21-11-22-16)23-13-4-2-1-3-5-13/h2*2-12H,1H3,(H,21,22,23)(H3,20,24,25,26);3*1-11H,(H,21,22,23)(H3,20,24,25,26).
What are the key properties of 1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine?
1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 1820.39 g/mol, XLogP of 17.18, 25 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-anilinopyrimidin-4-yl)-3-N-(4-chlorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-fluorophenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(3-methylphenyl)-1,2,4-triazole-3,5-diamine;1-(6-anilinopyrimidin-4-yl)-3-N-(4-methylphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 160682960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).