6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine

C22H15N5O — CID 53258252

IUPAC6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1ccc(Oc2ccccc2-c2cnc3nnc(-c4ccncc4)n3c2)cc1
InChIInChI=1S/C22H15N5O/c1-2-6-18(7-3-1)28-20-9-5-4-8-19(20)17-14-24-22-26-25-21(27(22)15-17)16-10-12-23-13-11-16/h1-15H
InChIKeyUEPYISPYBAGLGG-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.65
Rot. Bonds4

About 6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine

6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 53258252) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is 6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID53258252
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC Name6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1ccc(Oc2ccccc2-c2cnc3nnc(-c4ccncc4)n3c2)cc1
InChIInChI=1S/C22H15N5O/c1-2-6-18(7-3-1)28-20-9-5-4-8-19(20)17-14-24-22-26-25-21(27(22)15-17)16-10-12-23-13-11-16/h1-15H
InChIKeyUEPYISPYBAGLGG-UHFFFAOYSA-N
XLogP4.65
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine (CID 53258252) is 6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine is c1ccc(Oc2ccccc2-c2cnc3nnc(-c4ccncc4)n3c2)cc1.
What is the InChIKey of 6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is UEPYISPYBAGLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c1-2-6-18(7-3-1)28-20-9-5-4-8-19(20)17-14-24-22-26-25-21(27(22)15-17)16-10-12-23-13-11-16/h1-15H.
What are the key properties of 6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 365.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 53258252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).