1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine

C14H15ClN4O — CID 67638321

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1N=C2N=CC=CN2N1CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O/c1-11-17-14-16-7-2-8-19(14)18(11)9-10-20-13-5-3-12(15)4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyKZTYKHOTEVZTMA-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.55
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine

1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 67638321) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID67638321
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1N=C2N=CC=CN2N1CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O/c1-11-17-14-16-7-2-8-19(14)18(11)9-10-20-13-5-3-12(15)4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyKZTYKHOTEVZTMA-UHFFFAOYSA-N
XLogP2.55
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine (CID 67638321) is 1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine is CC1N=C2N=CC=CN2N1CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KZTYKHOTEVZTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-11-17-14-16-7-2-8-19(14)18(11)9-10-20-13-5-3-12(15)4-6-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine?
1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 290.75 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-2-methyl-2H-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 67638321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).