6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

C69H68FN31O3S3 — CID 160941265

About 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (PubChem CID 160941265) has the molecular formula C69H68FN31O3S3 and a molecular weight of 1494.72 g/mol. Its IUPAC name is 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
• PubChem CID: 160941265
• Molecular Formula: C69H68FN31O3S3
• Molecular Weight: 1494.72 g/mol
• Exact Mass: 1493.53
• IUPAC Name: 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
• SMILES: COc1ccc(Nc2nc(N)n(-c3ncc(C)s3)n2)cc1.COc1cccc(Nc2nc(N)n(-c3ncc(C)s3)n2)c1.COc1ccccc1Nc1nc(N)n(-c2ncc(C)s2)n1.N#Cc1ccc(-n2nc(Nc3ccccc3F)nc2N)nc1.Nc1nc(Nc2cccc3c2CCC3)nn1-c1ccccn1
• InChI: InChI=1S/C16H16N6.C14H10FN7.3C13H14N6OS/c17-15-20-16(21-22(15)14-9-1-2-10-18-14)19-13-8-4-6-11-5-3-7-12(11)13;15-10-3-1-2-4-11(10)19-14-20-13(17)22(21-14)12-6-5-9(7-16)8-18-12;1-8-7-15-13(21-8)19-11(14)17-12(18-19)16-9-3-5-10(20-2)6-4-9;1-8-7-15-13(21-8)19-11(14)17-12(18-19)16-9-4-3-5-10(6-9)20-2;1-8-7-15-13(21-8)19-11(14)17-12(18-19)16-9-5-3-4-6-10(9)20-2/h1-2,4,6,8-10H,3,5,7H2,(H3,17,19,20,21);1-6,8H,(H3,17,19,20,21);3*3-7H,1-2H3,(H3,14,16,17,18)
• InChIKey: SUNPTDUBEJNNLX-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 459.73 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1494.72
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

The IUPAC name of 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (CID 160941265) is 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is COc1ccc(Nc2nc(N)n(-c3ncc(C)s3)n2)cc1.COc1cccc(Nc2nc(N)n(-c3ncc(C)s3)n2)c1.COc1ccccc1Nc1nc(N)n(-c2ncc(C)s2)n1.N#Cc1ccc(-n2nc(Nc3ccccc3F)nc2N)nc1.Nc1nc(Nc2cccc3c2CCC3)nn1-c1ccccn1.

What is the InChIKey of 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

The InChIKey is SUNPTDUBEJNNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6.C14H10FN7.3C13H14N6OS/c17-15-20-16(21-22(15)14-9-1-2-10-18-14)19-13-8-4-6-11-5-3-7-12(11)13;15-10-3-1-2-4-11(10)19-14-20-13(17)22(21-14)12-6-5-9(7-16)8-18-12;1-8-7-15-13(21-8)19-11(14)17-12(18-19)16-9-3-5-10(20-2)6-4-9;1-8-7-15-13(21-8)19-11(14)17-12(18-19)16-9-4-3-5-10(6-9)20-2;1-8-7-15-13(21-8)19-11(14)17-12(18-19)16-9-5-3-4-6-10(9)20-2/h1-2,4,6,8-10H,3,5,7H2,(H3,17,19,20,21);1-6,8H,(H3,17,19,20,21);3*3-7H,1-2H3,(H3,14,16,17,18).

What are the key properties of 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?

6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine has a molecular weight of 1494.72 g/mol, XLogP of 11.58, 18 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-amino-3-(2-fluoroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-(2,3-dihydro-1H-inden-4-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(4-methoxyphenyl)-1-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 160941265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).