2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C19H14F2N4O — CID 75465944

IUPAC2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2ccnc3nc(Cc4cc(F)cc(F)c4)nn23)c1
InChIInChI=1S/C19H14F2N4O/c1-26-16-4-2-3-13(10-16)17-5-6-22-19-23-18(24-25(17)19)9-12-7-14(20)11-15(21)8-12/h2-8,10-11H,9H2,1H3
InChIKeyLFKZYNFTESVKRR-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.67
Rot. Bonds4

About 2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465944) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465944
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2ccnc3nc(Cc4cc(F)cc(F)c4)nn23)c1
InChIInChI=1S/C19H14F2N4O/c1-26-16-4-2-3-13(10-16)17-5-6-22-19-23-18(24-25(17)19)9-12-7-14(20)11-15(21)8-12/h2-8,10-11H,9H2,1H3
InChIKeyLFKZYNFTESVKRR-UHFFFAOYSA-N
XLogP3.67
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465944) is 2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cccc(-c2ccnc3nc(Cc4cc(F)cc(F)c4)nn23)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LFKZYNFTESVKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-26-16-4-2-3-13(10-16)17-5-6-22-19-23-18(24-25(17)19)9-12-7-14(20)11-15(21)8-12/h2-8,10-11H,9H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 352.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).