7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C18H18N4O — CID 662654

IUPAC7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1C1CC(c2ccccc2)Nc2ncnn21
InChIInChI=1S/C18H18N4O/c1-23-17-10-6-5-9-14(17)16-11-15(13-7-3-2-4-8-13)21-18-19-12-20-22(16)18/h2-10,12,15-16H,11H2,1H3,(H,19,20,21)
InChIKeyIMAZCCKGMHERPG-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.43
Rot. Bonds3

About 7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 662654) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID662654
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1C1CC(c2ccccc2)Nc2ncnn21
InChIInChI=1S/C18H18N4O/c1-23-17-10-6-5-9-14(17)16-11-15(13-7-3-2-4-8-13)21-18-19-12-20-22(16)18/h2-10,12,15-16H,11H2,1H3,(H,19,20,21)
InChIKeyIMAZCCKGMHERPG-UHFFFAOYSA-N
XLogP3.43
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 662654) is 7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccccc1C1CC(c2ccccc2)Nc2ncnn21.
What is the InChIKey of 7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IMAZCCKGMHERPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-23-17-10-6-5-9-14(17)16-11-15(13-7-3-2-4-8-13)21-18-19-12-20-22(16)18/h2-10,12,15-16H,11H2,1H3,(H,19,20,21).
What are the key properties of 7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 306.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 662654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).