2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine

C76H60F3N31O3 — CID 158799670

About 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine

2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 158799670) has the molecular formula C76H60F3N31O3 and a molecular weight of 1512.52 g/mol. Its IUPAC name is 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

• Compound Name: 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine
• PubChem CID: 158799670
• Molecular Formula: C76H60F3N31O3
• Molecular Weight: 1512.52 g/mol
• Exact Mass: 1511.54
• IUPAC Name: 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine
• SMILES: Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc3ncccc3c2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc3ocnc3c2)n1.Cc1nc2ccccc2n1-c1nc(NO)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(NO)nc(Nc2ccc3ncccc3c2)n1
• InChI: InChI=1S/C20H16N8O.C20H16N8.C18H14F3N7O.C18H14N8O/c1-12-22-16-6-2-3-7-17(16)28(12)20-25-18(24-19(26-20)27-29)23-14-8-9-15-13(11-14)5-4-10-21-15;1-12-23-16-6-2-3-7-17(16)28(12)20-26-18(21)25-19(27-20)24-14-8-9-15-13(11-14)5-4-10-22-15;1-10-22-13-4-2-3-5-14(13)28(10)17-25-15(24-16(26-17)27-29)23-12-8-6-11(7-9-12)18(19,20)21;1-10-21-12-4-2-3-5-14(12)26(10)18-24-16(19)23-17(25-18)22-11-6-7-15-13(8-11)20-9-27-15/h2-11,29H,1H3,(H2,23,24,25,26,27);2-11H,1H3,(H3,21,24,25,26,27);2-9,29H,1H3,(H2,23,24,25,26,27);2-9H,1H3,(H3,19,22,23,24,25)
• InChIKey: ITHYINCUOOPEPI-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 442.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1512.52
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine?

The IUPAC name of 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine (CID 158799670) is 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine.

What is the SMILES notation for 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine?

The canonical SMILES for 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine is Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc3ncccc3c2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc3ocnc3c2)n1.Cc1nc2ccccc2n1-c1nc(NO)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(NO)nc(Nc2ccc3ncccc3c2)n1.

What is the InChIKey of 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine?

The InChIKey is ITHYINCUOOPEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O.C20H16N8.C18H14F3N7O.C18H14N8O/c1-12-22-16-6-2-3-7-17(16)28(12)20-25-18(24-19(26-20)27-29)23-14-8-9-15-13(11-14)5-4-10-21-15;1-12-23-16-6-2-3-7-17(16)28(12)20-26-18(21)25-19(27-20)24-14-8-9-15-13(11-14)5-4-10-22-15;1-10-22-13-4-2-3-5-14(13)28(10)17-25-15(24-16(26-17)27-29)23-12-8-6-11(7-9-12)18(19,20)21;1-10-21-12-4-2-3-5-14(12)26(10)18-24-16(19)23-17(25-18)22-11-6-7-15-13(8-11)20-9-27-15/h2-11,29H,1H3,(H2,23,24,25,26,27);2-11H,1H3,(H3,21,24,25,26,27);2-9,29H,1H3,(H2,23,24,25,26,27);2-9H,1H3,(H3,19,22,23,24,25).

What are the key properties of 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine?

2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 1512.52 g/mol, XLogP of 14.07, 14 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 158799670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).