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

C12H8Cl2N4O — CID 18100702

IUPAC7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Oc2ccc(Cl)cc2Cl)n2ncnc2n1
InChIInChI=1S/C12H8Cl2N4O/c1-7-4-11(18-12(17-7)15-6-16-18)19-10-3-2-8(13)5-9(10)14/h2-6H,1H3
InChIKeyZOWWMVDOOSJXNY-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.53
Rot. Bonds2

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

7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 18100702) has the molecular formula C12H8Cl2N4O and a molecular weight of 295.13 g/mol. Its IUPAC name is 7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID18100702
Molecular FormulaC12H8Cl2N4O
Molecular Weight295.13 g/mol
Exact Mass294.01
IUPAC Name7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Oc2ccc(Cl)cc2Cl)n2ncnc2n1
InChIInChI=1S/C12H8Cl2N4O/c1-7-4-11(18-12(17-7)15-6-16-18)19-10-3-2-8(13)5-9(10)14/h2-6H,1H3
InChIKeyZOWWMVDOOSJXNY-UHFFFAOYSA-N
XLogP3.53
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 18100702) is 7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(Oc2ccc(Cl)cc2Cl)n2ncnc2n1.
What is the InChIKey of 7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZOWWMVDOOSJXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O/c1-7-4-11(18-12(17-7)15-6-16-18)19-10-3-2-8(13)5-9(10)14/h2-6H,1H3.
What are the key properties of 7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 295.13 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 18100702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).