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

C12H10N4O — CID 4773323

IUPAC7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3ncnn23)cc1
InChIInChI=1S/C12H10N4O/c1-17-10-4-2-9(3-5-10)11-6-7-13-12-14-8-15-16(11)12/h2-8H,1H3
InChIKeyQYNHWMLIOSZMSJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.80
Rot. Bonds2

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

7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4773323) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4773323
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3ncnn23)cc1
InChIInChI=1S/C12H10N4O/c1-17-10-4-2-9(3-5-10)11-6-7-13-12-14-8-15-16(11)12/h2-8H,1H3
InChIKeyQYNHWMLIOSZMSJ-UHFFFAOYSA-N
XLogP1.80
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4773323) is 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3ncnn23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QYNHWMLIOSZMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-10-4-2-9(3-5-10)11-6-7-13-12-14-8-15-16(11)12/h2-8H,1H3.
What are the key properties of 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 226.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4773323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).