7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C8H9ClN4O — CID 15672756

IUPAC7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C8H9ClN4O/c1-5-3-6(9)13-8(10-5)11-7(12-13)4-14-2/h3H,4H2,1-2H3
InChIKeyRPLXWVBVQNGMOB-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.23
Rot. Bonds2

About 7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 15672756) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID15672756
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C8H9ClN4O/c1-5-3-6(9)13-8(10-5)11-7(12-13)4-14-2/h3H,4H2,1-2H3
InChIKeyRPLXWVBVQNGMOB-UHFFFAOYSA-N
XLogP1.23
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 15672756) is 7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1nc2nc(C)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RPLXWVBVQNGMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-5-3-6(9)13-8(10-5)11-7(12-13)4-14-2/h3H,4H2,1-2H3.
What are the key properties of 7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 212.64 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(methoxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15672756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).