7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C19H18N4O — CID 662176

IUPAC7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1
InChIInChI=1S/C19H18N4O/c1-2-24-16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)22-19-20-13-21-23(18)19/h3-13,18H,2H2,1H3,(H,20,21,22)
InChIKeyORECIPHQWAIKFJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.73
Rot. Bonds4

About 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 662176) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID662176
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1
InChIInChI=1S/C19H18N4O/c1-2-24-16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)22-19-20-13-21-23(18)19/h3-13,18H,2H2,1H3,(H,20,21,22)
InChIKeyORECIPHQWAIKFJ-UHFFFAOYSA-N
XLogP3.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 662176) is 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is CCOc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1.
What is the InChIKey of 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ORECIPHQWAIKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-2-24-16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)22-19-20-13-21-23(18)19/h3-13,18H,2H2,1H3,(H,20,21,22).
What are the key properties of 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 318.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 662176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).