4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one

C103H124N34O2 — CID 159817346

IUPAC4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)CCN(C)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CCN(CC)CCNc1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN1C(C)(C)CC(Nc2cc(-n3cnc(Nc4ccccc4)n3)ccn2)CC1(C)C.COCCN(C)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.O=c1[nH]c2ccccc2n1C1CCN(c2cc(-n3cnc(Nc4ccccc4)n3)ccn2)CC1
InChIInChI=1S/C25H24N8O.C23H31N7.C19H25N7.C19H24N6.C17H20N6O/c34-25-29-21-8-4-5-9-22(21)33(25)19-11-14-31(15-12-19)23-16-20(10-13-26-23)32-17-27-24(30-32)28-18-6-2-1-3-7-18;1-22(2)14-18(15-23(3,4)29(22)5)26-20-13-19(11-12-24-20)30-16-25-21(28-30)27-17-9-7-6-8-10-17;1-3-25(4-2)13-12-21-18-14-17(10-11-20-18)26-15-22-19(24-26)23-16-8-6-5-7-9-16;1-15(2)10-12-24(3)18-13-17(9-11-20-18)25-14-21-19(23-25)22-16-7-5-4-6-8-16;1-22(10-11-24-2)16-12-15(8-9-18-16)23-13-19-17(21-23)20-14-6-4-3-5-7-14/h1-10,13,16-17,19H,11-12,14-15H2,(H,28,30)(H,29,34);6-13,16,18H,14-15H2,1-5H3,(H,24,26)(H,27,28);5-11,14-15H,3-4,12-13H2,1-2H3,(H,20,21)(H,23,24);4-9,11,13-15H,10,12H2,1-3H3,(H,22,23);3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyNLTYQEXIVCEUIS-UHFFFAOYSA-N
MW1870.36 g/mol
LogP17.90
Rot. Bonds33

About 4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one

4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 159817346) has the molecular formula C103H124N34O2 and a molecular weight of 1870.36 g/mol. Its IUPAC name is 4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID159817346
Molecular FormulaC103H124N34O2
Molecular Weight1870.36 g/mol
Exact Mass1869.06
IUPAC Name4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)CCN(C)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CCN(CC)CCNc1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN1C(C)(C)CC(Nc2cc(-n3cnc(Nc4ccccc4)n3)ccn2)CC1(C)C.COCCN(C)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.O=c1[nH]c2ccccc2n1C1CCN(c2cc(-n3cnc(Nc4ccccc4)n3)ccn2)CC1
InChIInChI=1S/C25H24N8O.C23H31N7.C19H25N7.C19H24N6.C17H20N6O/c34-25-29-21-8-4-5-9-22(21)33(25)19-11-14-31(15-12-19)23-16-20(10-13-26-23)32-17-27-24(30-32)28-18-6-2-1-3-7-18;1-22(2)14-18(15-23(3,4)29(22)5)26-20-13-19(11-12-24-20)30-16-25-21(28-30)27-17-9-7-6-8-10-17;1-3-25(4-2)13-12-21-18-14-17(10-11-20-18)26-15-22-19(24-26)23-16-8-6-5-7-9-16;1-15(2)10-12-24(3)18-13-17(9-11-20-18)25-14-21-19(23-25)22-16-7-5-4-6-8-16;1-22(10-11-24-2)16-12-15(8-9-18-16)23-13-19-17(21-23)20-14-6-4-3-5-7-14/h1-10,13,16-17,19H,11-12,14-15H2,(H,28,30)(H,29,34);6-13,16,18H,14-15H2,1-5H3,(H,24,26)(H,27,28);5-11,14-15H,3-4,12-13H2,1-2H3,(H,20,21)(H,23,24);4-9,11,13-15H,10,12H2,1-3H3,(H,22,23);3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyNLTYQEXIVCEUIS-UHFFFAOYSA-N
XLogP17.90
TPSA365.43 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds33
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001870.36
LogP ≤ 517.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Analyze 4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 159817346) is 4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(C)CCN(C)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CCN(CC)CCNc1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN1C(C)(C)CC(Nc2cc(-n3cnc(Nc4ccccc4)n3)ccn2)CC1(C)C.COCCN(C)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.O=c1[nH]c2ccccc2n1C1CCN(c2cc(-n3cnc(Nc4ccccc4)n3)ccn2)CC1.
What is the InChIKey of 4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is NLTYQEXIVCEUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O.C23H31N7.C19H25N7.C19H24N6.C17H20N6O/c34-25-29-21-8-4-5-9-22(21)33(25)19-11-14-31(15-12-19)23-16-20(10-13-26-23)32-17-27-24(30-32)28-18-6-2-1-3-7-18;1-22(2)14-18(15-23(3,4)29(22)5)26-20-13-19(11-12-24-20)30-16-25-21(28-30)27-17-9-7-6-8-10-17;1-3-25(4-2)13-12-21-18-14-17(10-11-20-18)26-15-22-19(24-26)23-16-8-6-5-7-9-16;1-15(2)10-12-24(3)18-13-17(9-11-20-18)25-14-21-19(23-25)22-16-7-5-4-6-8-16;1-22(10-11-24-2)16-12-15(8-9-18-16)23-13-19-17(21-23)20-14-6-4-3-5-7-14/h1-10,13,16-17,19H,11-12,14-15H2,(H,28,30)(H,29,34);6-13,16,18H,14-15H2,1-5H3,(H,24,26)(H,27,28);5-11,14-15H,3-4,12-13H2,1-2H3,(H,20,21)(H,23,24);4-9,11,13-15H,10,12H2,1-3H3,(H,22,23);3-9,12-13H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one?
4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 1870.36 g/mol, XLogP of 17.90, 33 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;3-[1-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 159817346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).