7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C20H20N4O3 — CID 3817295

IUPAC7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3ccc(OC)c(OC)c3)n3ncnc3N2)cc1
InChIInChI=1S/C20H20N4O3/c1-25-15-7-4-13(5-8-15)16-11-17(24-20(23-16)21-12-22-24)14-6-9-18(26-2)19(10-14)27-3/h4-12,17H,1-3H3,(H,21,22,23)
InChIKeyHEMBUBOWNFUZHH-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.36
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3817295) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3817295
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3ccc(OC)c(OC)c3)n3ncnc3N2)cc1
InChIInChI=1S/C20H20N4O3/c1-25-15-7-4-13(5-8-15)16-11-17(24-20(23-16)21-12-22-24)14-6-9-18(26-2)19(10-14)27-3/h4-12,17H,1-3H3,(H,21,22,23)
InChIKeyHEMBUBOWNFUZHH-UHFFFAOYSA-N
XLogP3.36
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3817295) is 7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(C2=CC(c3ccc(OC)c(OC)c3)n3ncnc3N2)cc1.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HEMBUBOWNFUZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-25-15-7-4-13(5-8-15)16-11-17(24-20(23-16)21-12-22-24)14-6-9-18(26-2)19(10-14)27-3/h4-12,17H,1-3H3,(H,21,22,23).
What are the key properties of 7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 364.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3817295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).