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

C19H16N4O — CID 75465883

IUPAC2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(Cc2nc3nccc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C19H16N4O/c1-24-16-9-7-14(8-10-16)13-18-21-19-20-12-11-17(23(19)22-18)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyLYBMXTOKUARRAD-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.39
Rot. Bonds4

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

2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465883) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465883
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(Cc2nc3nccc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C19H16N4O/c1-24-16-9-7-14(8-10-16)13-18-21-19-20-12-11-17(23(19)22-18)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyLYBMXTOKUARRAD-UHFFFAOYSA-N
XLogP3.39
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465883) is 2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(Cc2nc3nccc(-c4ccccc4)n3n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LYBMXTOKUARRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-24-16-9-7-14(8-10-16)13-18-21-19-20-12-11-17(23(19)22-18)15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 316.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).