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

C9H11ClN4O — CID 83096543

IUPAC7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2nc(OC)nc2n1
InChIInChI=1S/C9H11ClN4O/c1-3-4-6-5-7(10)14-8(11-6)12-9(13-14)15-2/h5H,3-4H2,1-2H3
InChIKeyHWFQZMDAFKWPCV-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.74
Rot. Bonds3

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

7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 83096543) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID83096543
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2nc(OC)nc2n1
InChIInChI=1S/C9H11ClN4O/c1-3-4-6-5-7(10)14-8(11-6)12-9(13-14)15-2/h5H,3-4H2,1-2H3
InChIKeyHWFQZMDAFKWPCV-UHFFFAOYSA-N
XLogP1.74
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 83096543) is 7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCCc1cc(Cl)n2nc(OC)nc2n1.
What is the InChIKey of 7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HWFQZMDAFKWPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-3-4-6-5-7(10)14-8(11-6)12-9(13-14)15-2/h5H,3-4H2,1-2H3.
What are the key properties of 7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 226.67 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methoxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 83096543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).