7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

C9H11ClN4O — CID 65427044

IUPAC7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOCCc1nnc2cc(Cl)nc(C)n12
InChIInChI=1S/C9H11ClN4O/c1-6-11-7(10)5-9-13-12-8(14(6)9)3-4-15-2/h5H,3-4H2,1-2H3
InChIKeyILCODAHAWXZWDF-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.28
Rot. Bonds3

About 7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 65427044) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID65427044
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOCCc1nnc2cc(Cl)nc(C)n12
InChIInChI=1S/C9H11ClN4O/c1-6-11-7(10)5-9-13-12-8(14(6)9)3-4-15-2/h5H,3-4H2,1-2H3
InChIKeyILCODAHAWXZWDF-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 65427044) is 7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is COCCc1nnc2cc(Cl)nc(C)n12.
What is the InChIKey of 7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is ILCODAHAWXZWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-6-11-7(10)5-9-13-12-8(14(6)9)3-4-15-2/h5H,3-4H2,1-2H3.
What are the key properties of 7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 226.67 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 65427044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).