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

C13H11ClN4O — CID 67638978

IUPAC5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(Oc1ccc(Cl)cc1)c1ccn2ncnc2n1
InChIInChI=1S/C13H11ClN4O/c1-9(19-11-4-2-10(14)3-5-11)12-6-7-18-13(17-12)15-8-16-18/h2-9H,1H3
InChIKeyRXMPSWRZHAEFQH-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.92
Rot. Bonds3

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

5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 67638978) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID67638978
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(Oc1ccc(Cl)cc1)c1ccn2ncnc2n1
InChIInChI=1S/C13H11ClN4O/c1-9(19-11-4-2-10(14)3-5-11)12-6-7-18-13(17-12)15-8-16-18/h2-9H,1H3
InChIKeyRXMPSWRZHAEFQH-UHFFFAOYSA-N
XLogP2.92
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-chlorophenoxy)ethyl]-2-methylpyrimidine
CID 129051029
5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58270253
[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile
CID 162521908
2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole
CID 16998925
1-chloro-4-(1-chloroethoxy)benzene
CID 13323363
5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 3155972
1-chloro-4-(1-chlorobutan-2-yloxy)benzene
CID 70462784
2-[2-(4-chlorophenoxy)ethylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 76684684
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
1-(4-chlorophenoxy)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 105160739
11-[1-(4-chlorophenyl)ethyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 43864578
2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 117187741

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 67638978) is 5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is CC(Oc1ccc(Cl)cc1)c1ccn2ncnc2n1.
What is the InChIKey of 5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RXMPSWRZHAEFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-9(19-11-4-2-10(14)3-5-11)12-6-7-18-13(17-12)15-8-16-18/h2-9H,1H3.
What are the key properties of 5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 274.71 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 67638978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).