4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine

C110H118N32O3 — CID 158099550

IUPAC4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine
SMILESCCN1CCCC1CNc1cc(-n2cnc(Nc3ccccc3)n2)ccn1.COc1ccc(C(Nc2cc(-n3cnc(Nc4ccccc4)n3)ccn2)C2CC2)cc1.OC(CNc1cc(-n2cnc(Nc3ccccc3)n2)ccn1)c1ccccc1.c1ccc(Nc2ncn(-c3ccnc(N4CCC[C@H]4CN4CCCC4)c3)n2)cc1.c1ccc(Nc2ncn(-c3ccnc(N4CCOC(c5ccccc5)C4)c3)n2)cc1
InChIInChI=1S/C24H24N6O.C23H22N6O.C22H27N7.C21H20N6O.C20H25N7/c1-31-21-11-9-18(10-12-21)23(17-7-8-17)28-22-15-20(13-14-25-22)30-16-26-24(29-30)27-19-5-3-2-4-6-19;1-3-7-18(8-4-1)21-16-28(13-14-30-21)22-15-20(11-12-24-22)29-17-25-23(27-29)26-19-9-5-2-6-10-19;1-2-7-18(8-3-1)25-22-24-17-29(26-22)19-10-11-23-21(15-19)28-14-6-9-20(28)16-27-12-4-5-13-27;28-19(16-7-3-1-4-8-16)14-23-20-13-18(11-12-22-20)27-15-24-21(26-27)25-17-9-5-2-6-10-17;1-2-26-12-6-9-18(26)14-22-19-13-17(10-11-21-19)27-15-23-20(25-27)24-16-7-4-3-5-8-16/h2-6,9-17,23H,7-8H2,1H3,(H,25,28)(H,27,29);1-12,15,17,21H,13-14,16H2,(H,26,27);1-3,7-8,10-11,15,17,20H,4-6,9,12-14,16H2,(H,25,26);1-13,15,19,28H,14H2,(H,22,23)(H,25,26);3-5,7-8,10-11,13,15,18H,2,6,9,12,14H2,1H3,(H,21,22)(H,24,25)/t;;20-;;/m..0../s1
InChIKeyFPBYTHSYUMQCCH-XWDRMEJXSA-N
MW1936.37 g/mol
LogP19.29
Rot. Bonds33

About 4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine

4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine (PubChem CID 158099550) has the molecular formula C110H118N32O3 and a molecular weight of 1936.37 g/mol. Its IUPAC name is 4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine
PubChem CID158099550
Molecular FormulaC110H118N32O3
Molecular Weight1936.37 g/mol
Exact Mass1935.01
IUPAC Name4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine
SMILESCCN1CCCC1CNc1cc(-n2cnc(Nc3ccccc3)n2)ccn1.COc1ccc(C(Nc2cc(-n3cnc(Nc4ccccc4)n3)ccn2)C2CC2)cc1.OC(CNc1cc(-n2cnc(Nc3ccccc3)n2)ccn1)c1ccccc1.c1ccc(Nc2ncn(-c3ccnc(N4CCC[C@H]4CN4CCCC4)c3)n2)cc1.c1ccc(Nc2ncn(-c3ccnc(N4CCOC(c5ccccc5)C4)c3)n2)cc1
InChIInChI=1S/C24H24N6O.C23H22N6O.C22H27N7.C21H20N6O.C20H25N7/c1-31-21-11-9-18(10-12-21)23(17-7-8-17)28-22-15-20(13-14-25-22)30-16-26-24(29-30)27-19-5-3-2-4-6-19;1-3-7-18(8-4-1)21-16-28(13-14-30-21)22-15-20(11-12-24-22)29-17-25-23(27-29)26-19-9-5-2-6-10-19;1-2-7-18(8-3-1)25-22-24-17-29(26-22)19-10-11-23-21(15-19)28-14-6-9-20(28)16-27-12-4-5-13-27;28-19(16-7-3-1-4-8-16)14-23-20-13-18(11-12-22-20)27-15-24-21(26-27)25-17-9-5-2-6-10-17;1-2-26-12-6-9-18(26)14-22-19-13-17(10-11-21-19)27-15-23-20(25-27)24-16-7-4-3-5-8-16/h2-6,9-17,23H,7-8H2,1H3,(H,25,28)(H,27,29);1-12,15,17,21H,13-14,16H2,(H,26,27);1-3,7-8,10-11,15,17,20H,4-6,9,12-14,16H2,(H,25,26);1-13,15,19,28H,14H2,(H,22,23)(H,25,26);3-5,7-8,10-11,13,15,18H,2,6,9,12,14H2,1H3,(H,21,22)(H,24,25)/t;;20-;;/m..0../s1
InChIKeyFPBYTHSYUMQCCH-XWDRMEJXSA-N
XLogP19.29
TPSA365.89 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds33
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001936.37
LogP ≤ 519.29
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze 4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine 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-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine (CID 158099550) is 4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine is CCN1CCCC1CNc1cc(-n2cnc(Nc3ccccc3)n2)ccn1.COc1ccc(C(Nc2cc(-n3cnc(Nc4ccccc4)n3)ccn2)C2CC2)cc1.OC(CNc1cc(-n2cnc(Nc3ccccc3)n2)ccn1)c1ccccc1.c1ccc(Nc2ncn(-c3ccnc(N4CCC[C@H]4CN4CCCC4)c3)n2)cc1.c1ccc(Nc2ncn(-c3ccnc(N4CCOC(c5ccccc5)C4)c3)n2)cc1.
What is the InChIKey of 4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine?
The InChIKey is FPBYTHSYUMQCCH-XWDRMEJXSA-N. The full InChI is InChI=1S/C24H24N6O.C23H22N6O.C22H27N7.C21H20N6O.C20H25N7/c1-31-21-11-9-18(10-12-21)23(17-7-8-17)28-22-15-20(13-14-25-22)30-16-26-24(29-30)27-19-5-3-2-4-6-19;1-3-7-18(8-4-1)21-16-28(13-14-30-21)22-15-20(11-12-24-22)29-17-25-23(27-29)26-19-9-5-2-6-10-19;1-2-7-18(8-3-1)25-22-24-17-29(26-22)19-10-11-23-21(15-19)28-14-6-9-20(28)16-27-12-4-5-13-27;28-19(16-7-3-1-4-8-16)14-23-20-13-18(11-12-22-20)27-15-24-21(26-27)25-17-9-5-2-6-10-17;1-2-26-12-6-9-18(26)14-22-19-13-17(10-11-21-19)27-15-23-20(25-27)24-16-7-4-3-5-8-16/h2-6,9-17,23H,7-8H2,1H3,(H,25,28)(H,27,29);1-12,15,17,21H,13-14,16H2,(H,26,27);1-3,7-8,10-11,15,17,20H,4-6,9,12-14,16H2,(H,25,26);1-13,15,19,28H,14H2,(H,22,23)(H,25,26);3-5,7-8,10-11,13,15,18H,2,6,9,12,14H2,1H3,(H,21,22)(H,24,25)/t;;20-;;/m..0../s1.
What are the key properties of 4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine?
4-(3-anilino-1,2,4-triazol-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine has a molecular weight of 1936.37 g/mol, XLogP of 19.29, 33 rotatable bonds, 9 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-[cyclopropyl-(4-methoxyphenyl)methyl]pyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]amino]-1-phenylethanol;N-phenyl-1-[2-(2-phenylmorpholin-4-yl)-4-pyridinyl]-1,2,4-triazol-3-amine;N-phenyl-1-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 158099550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).