7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C22H15N5 — CID 66497848

IUPAC7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccnc4nc(-c5cccnc5)nn34)cc2)cc1
InChIInChI=1S/C22H15N5/c1-2-5-16(6-3-1)17-8-10-18(11-9-17)20-12-14-24-22-25-21(26-27(20)22)19-7-4-13-23-15-19/h1-15H
InChIKeyNRFSUAOAMKAZSI-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.52
Rot. Bonds3

About 7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 66497848) has the molecular formula C22H15N5 and a molecular weight of 349.40 g/mol. Its IUPAC name is 7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID66497848
Molecular FormulaC22H15N5
Molecular Weight349.40 g/mol
Exact Mass349.13
IUPAC Name7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccnc4nc(-c5cccnc5)nn34)cc2)cc1
InChIInChI=1S/C22H15N5/c1-2-5-16(6-3-1)17-8-10-18(11-9-17)20-12-14-24-22-25-21(26-27(20)22)19-7-4-13-23-15-19/h1-15H
InChIKeyNRFSUAOAMKAZSI-UHFFFAOYSA-N
XLogP4.52
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497872
7-pyridin-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497841
2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498295
7-[4-[(4-chlorophenyl)methoxy]phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498301
(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103317716
2-phenyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498307
2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 30465384
7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56737952
7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497840
2-(4-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498210
7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66811172
7-pyridin-2-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56763000

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 66497848) is 7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc(-c2ccc(-c3ccnc4nc(-c5cccnc5)nn34)cc2)cc1.
What is the InChIKey of 7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NRFSUAOAMKAZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5/c1-2-5-16(6-3-1)17-8-10-18(11-9-17)20-12-14-24-22-25-21(26-27(20)22)19-7-4-13-23-15-19/h1-15H.
What are the key properties of 7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 349.40 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66497848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).