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

C17H13N5O — CID 66497840

IUPAC7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(-c4ccncc4)nn23)cc1
InChIInChI=1S/C17H13N5O/c1-23-14-4-2-12(3-5-14)15-8-11-19-17-20-16(21-22(15)17)13-6-9-18-10-7-13/h2-11H,1H3
InChIKeyLCFQQSGVLNTMKC-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.86
Rot. Bonds3

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

7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 66497840) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID66497840
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(-c4ccncc4)nn23)cc1
InChIInChI=1S/C17H13N5O/c1-23-14-4-2-12(3-5-14)15-8-11-19-17-20-16(21-22(15)17)13-6-9-18-10-7-13/h2-11H,1H3
InChIKeyLCFQQSGVLNTMKC-UHFFFAOYSA-N
XLogP2.86
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498306
7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56921229
2-(4-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498210
7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491531
2-phenyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498307
7-pyridin-2-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56763000
2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498295
2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75465883
2-[(4-methoxyphenyl)methyl]-7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71705477
7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497848
7-(3-nitrophenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497839
7-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1473228

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 66497840) is 7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3nc(-c4ccncc4)nn23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LCFQQSGVLNTMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-23-14-4-2-12(3-5-14)15-8-11-19-17-20-16(21-22(15)17)13-6-9-18-10-7-13/h2-11H,1H3.
What are the key properties of 7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 303.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66497840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).