7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C7H7ClN4 — CID 16768222

IUPAC7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2ncnc2n1
InChIInChI=1S/C7H7ClN4/c1-2-5-3-6(8)12-7(11-5)9-4-10-12/h3-4H,2H2,1H3
InChIKeyQWSTYGSBBPKJAM-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.34
Rot. Bonds1

About 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 16768222) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID16768222
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2ncnc2n1
InChIInChI=1S/C7H7ClN4/c1-2-5-3-6(8)12-7(11-5)9-4-10-12/h3-4H,2H2,1H3
InChIKeyQWSTYGSBBPKJAM-UHFFFAOYSA-N
XLogP1.34
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 16768222) is 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(Cl)n2ncnc2n1.
What is the InChIKey of 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QWSTYGSBBPKJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-2-5-3-6(8)12-7(11-5)9-4-10-12/h3-4H,2H2,1H3.
What are the key properties of 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 182.61 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 16768222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).