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

C22H24N4O2 — CID 4074671

IUPAC7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1ccc(C2C=C(c3ccc(CC)cc3)Nc3ncnn32)cc1OC
InChIInChI=1S/C22H24N4O2/c1-4-15-6-8-16(9-7-15)18-13-19(26-22(25-18)23-14-24-26)17-10-11-20(28-5-2)21(12-17)27-3/h6-14,19H,4-5H2,1-3H3,(H,23,24,25)
InChIKeyYMIYWHMHRGKVDR-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.30
Rot. Bonds6

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

7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4074671) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4074671
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1ccc(C2C=C(c3ccc(CC)cc3)Nc3ncnn32)cc1OC
InChIInChI=1S/C22H24N4O2/c1-4-15-6-8-16(9-7-15)18-13-19(26-22(25-18)23-14-24-26)17-10-11-20(28-5-2)21(12-17)27-3/h6-14,19H,4-5H2,1-3H3,(H,23,24,25)
InChIKeyYMIYWHMHRGKVDR-UHFFFAOYSA-N
XLogP4.30
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4074671) is 7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is CCOc1ccc(C2C=C(c3ccc(CC)cc3)Nc3ncnn32)cc1OC.
What is the InChIKey of 7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YMIYWHMHRGKVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-15-6-8-16(9-7-15)18-13-19(26-22(25-18)23-14-24-26)17-10-11-20(28-5-2)21(12-17)27-3/h6-14,19H,4-5H2,1-3H3,(H,23,24,25).
What are the key properties of 7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 376.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxy-3-methoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4074671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).