ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C24H27N5O2 — CID 4898838

About ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 4898838) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• PubChem CID: 4898838
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2C1c1ccc(N(CC)CC)cc1
• InChI: InChI=1S/C24H27N5O2/c1-4-28(5-2)19-14-12-18(13-15-19)22-20(23(30)31-6-3)21(17-10-8-7-9-11-17)27-24-25-16-26-29(22)24/h7-16,22H,4-6H2,1-3H3,(H,25,26,27)
• InChIKey: RWTJLLMGVHPONP-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 4898838) is ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2C1c1ccc(N(CC)CC)cc1.

What is the InChIKey of ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The InChIKey is RWTJLLMGVHPONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-4-28(5-2)19-14-12-18(13-15-19)22-20(23(30)31-6-3)21(17-10-8-7-9-11-17)27-24-25-16-26-29(22)24/h7-16,22H,4-6H2,1-3H3,(H,25,26,27).

What are the key properties of ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[4-(diethylamino)phenyl]-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 4898838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).