6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C7H7ClN4O — CID 153370745

IUPAC6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOCc1nnc2cnc(Cl)cn12
InChIInChI=1S/C7H7ClN4O/c1-13-4-7-11-10-6-2-9-5(8)3-12(6)7/h2-3H,4H2,1H3
InChIKeyWYFCHAHDOYLVAR-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.92
Rot. Bonds2

About 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine

6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 153370745) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID153370745
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOCc1nnc2cnc(Cl)cn12
InChIInChI=1S/C7H7ClN4O/c1-13-4-7-11-10-6-2-9-5(8)3-12(6)7/h2-3H,4H2,1H3
InChIKeyWYFCHAHDOYLVAR-UHFFFAOYSA-N
XLogP0.92
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 153370745) is 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine is COCc1nnc2cnc(Cl)cn12.
What is the InChIKey of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WYFCHAHDOYLVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O/c1-13-4-7-11-10-6-2-9-5(8)3-12(6)7/h2-3H,4H2,1H3.
What are the key properties of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 198.61 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 153370745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).