7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C19H14N6O — CID 138038697

IUPAC7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Oc2ccc(-n3ncc4ccccc43)cc2)n2ncnc2n1
InChIInChI=1S/C19H14N6O/c1-13-10-18(25-19(23-13)20-12-22-25)26-16-8-6-15(7-9-16)24-17-5-3-2-4-14(17)11-21-24/h2-12H,1H3
InChIKeyYPZJBFWHQKVPHP-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.56
Rot. Bonds3

About 7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 138038697) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID138038697
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Oc2ccc(-n3ncc4ccccc43)cc2)n2ncnc2n1
InChIInChI=1S/C19H14N6O/c1-13-10-18(25-19(23-13)20-12-22-25)26-16-8-6-15(7-9-16)24-17-5-3-2-4-14(17)11-21-24/h2-12H,1H3
InChIKeyYPZJBFWHQKVPHP-UHFFFAOYSA-N
XLogP3.56
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 138038697) is 7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(Oc2ccc(-n3ncc4ccccc43)cc2)n2ncnc2n1.
What is the InChIKey of 7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YPZJBFWHQKVPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c1-13-10-18(25-19(23-13)20-12-22-25)26-16-8-6-15(7-9-16)24-17-5-3-2-4-14(17)11-21-24/h2-12H,1H3.
What are the key properties of 7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 342.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-indazol-1-ylphenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 138038697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).