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

C18H16N4O — CID 2999581

IUPAC7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1
InChIInChI=1S/C18H16N4O/c1-23-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)21-18-19-12-20-22(17)18/h2-12,17H,1H3,(H,19,20,21)
InChIKeyVGXDUIAFPFVOJK-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.34
Rot. Bonds3

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

7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2999581) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2999581
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1
InChIInChI=1S/C18H16N4O/c1-23-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)21-18-19-12-20-22(17)18/h2-12,17H,1H3,(H,19,20,21)
InChIKeyVGXDUIAFPFVOJK-UHFFFAOYSA-N
XLogP3.34
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2999581) is 7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VGXDUIAFPFVOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-23-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)21-18-19-12-20-22(17)18/h2-12,17H,1H3,(H,19,20,21).
What are the key properties of 7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 304.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2999581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).