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

C18H16N4 — CID 3808649

IUPAC7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1
InChIInChI=1S/C18H16N4/c1-13-7-9-15(10-8-13)17-11-16(14-5-3-2-4-6-14)21-18-19-12-20-22(17)18/h2-12,17H,1H3,(H,19,20,21)
InChIKeyOBIQXTUOYQUGFG-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.64
Rot. Bonds2

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

7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3808649) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3808649
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1
InChIInChI=1S/C18H16N4/c1-13-7-9-15(10-8-13)17-11-16(14-5-3-2-4-6-14)21-18-19-12-20-22(17)18/h2-12,17H,1H3,(H,19,20,21)
InChIKeyOBIQXTUOYQUGFG-UHFFFAOYSA-N
XLogP3.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3808649) is 7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1.
What is the InChIKey of 7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OBIQXTUOYQUGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-13-7-9-15(10-8-13)17-11-16(14-5-3-2-4-6-14)21-18-19-12-20-22(17)18/h2-12,17H,1H3,(H,19,20,21).
What are the key properties of 7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 288.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3808649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).