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

C19H18N4O — CID 662095

IUPAC7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1
InChIInChI=1S/C19H18N4O/c1-13-3-5-14(6-4-13)17-11-18(23-19(22-17)20-12-21-23)15-7-9-16(24-2)10-8-15/h3-12,18H,1-2H3,(H,20,21,22)
InChIKeyPAAJVDGBQRSGBE-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.65
Rot. Bonds3

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

7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 662095) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID662095
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1
InChIInChI=1S/C19H18N4O/c1-13-3-5-14(6-4-13)17-11-18(23-19(22-17)20-12-21-23)15-7-9-16(24-2)10-8-15/h3-12,18H,1-2H3,(H,20,21,22)
InChIKeyPAAJVDGBQRSGBE-UHFFFAOYSA-N
XLogP3.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.65
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-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 662095) is 7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(C2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PAAJVDGBQRSGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-3-5-14(6-4-13)17-11-18(23-19(22-17)20-12-21-23)15-7-9-16(24-2)10-8-15/h3-12,18H,1-2H3,(H,20,21,22).
What are the key properties of 7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 318.38 g/mol, XLogP of 3.65, 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-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 662095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).