N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C93H113N25O — CID 159886546

About N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159886546) has the molecular formula C93H113N25O and a molecular weight of 1597.10 g/mol. Its IUPAC name is N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159886546
• Molecular Formula: C93H113N25O
• Molecular Weight: 1597.10 g/mol
• Exact Mass: 1595.96
• IUPAC Name: N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: CCCCCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1.CCCCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1.CCCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1.CCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1.Cc1cc(Nc2ccc(OCc3ccccc3)cc2)n2ncnc2n1
• InChI: InChI=1S/C20H27N5.C19H17N5O.C19H25N5.C18H23N5.C17H21N5/c1-3-4-5-6-7-8-9-17-10-12-18(13-11-17)24-19-14-16(2)23-20-21-15-22-25(19)20;1-14-11-18(24-19(22-14)20-13-21-24)23-16-7-9-17(10-8-16)25-12-15-5-3-2-4-6-15;1-3-4-5-6-7-8-16-9-11-17(12-10-16)23-18-13-15(2)22-19-20-14-21-24(18)19;1-3-4-5-6-7-15-8-10-16(11-9-15)22-17-12-14(2)21-18-19-13-20-23(17)18;1-3-4-5-6-14-7-9-15(10-8-14)21-16-11-13(2)20-17-18-12-19-22(16)17/h10-15,24H,3-9H2,1-2H3;2-11,13,23H,12H2,1H3;9-14,23H,3-8H2,1-2H3;8-13,22H,3-7H2,1-2H3;7-12,21H,3-6H2,1-2H3
• InChIKey: NUFBWJVRDIEQHD-UHFFFAOYSA-N
• XLogP: 21.73
• TPSA: 284.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1597.10
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 159886546) is N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCCCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1.CCCCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1.CCCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1.CCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1.Cc1cc(Nc2ccc(OCc3ccccc3)cc2)n2ncnc2n1.

What is the InChIKey of N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is NUFBWJVRDIEQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5.C19H17N5O.C19H25N5.C18H23N5.C17H21N5/c1-3-4-5-6-7-8-9-17-10-12-18(13-11-17)24-19-14-16(2)23-20-21-15-22-25(19)20;1-14-11-18(24-19(22-14)20-13-21-24)23-16-7-9-17(10-8-16)25-12-15-5-3-2-4-6-15;1-3-4-5-6-7-8-16-9-11-17(12-10-16)23-18-13-15(2)22-19-20-14-21-24(18)19;1-3-4-5-6-7-15-8-10-16(11-9-15)22-17-12-14(2)21-18-19-13-20-23(17)18;1-3-4-5-6-14-7-9-15(10-8-14)21-16-11-13(2)20-17-18-12-19-22(16)17/h10-15,24H,3-9H2,1-2H3;2-11,13,23H,12H2,1H3;9-14,23H,3-8H2,1-2H3;8-13,22H,3-7H2,1-2H3;7-12,21H,3-6H2,1-2H3.

What are the key properties of N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1597.10 g/mol, XLogP of 21.73, 35 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-heptylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-hexylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-octylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-pentylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159886546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).