methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C8H9N5O2 — CID 28935045

IUPACmethyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2nc(C)nn2c1N
InChIInChI=1S/C8H9N5O2/c1-4-11-8-10-3-5(7(14)15-2)6(9)13(8)12-4/h3H,9H2,1-2H3
InChIKeyMOVJFJCQHVXMJF-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.20
Rot. Bonds1

About methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 28935045) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID28935045
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Namemethyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2nc(C)nn2c1N
InChIInChI=1S/C8H9N5O2/c1-4-11-8-10-3-5(7(14)15-2)6(9)13(8)12-4/h3H,9H2,1-2H3
InChIKeyMOVJFJCQHVXMJF-UHFFFAOYSA-N
XLogP-0.20
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate 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 methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 28935045) is methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)c1cnc2nc(C)nn2c1N.
What is the InChIKey of methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is MOVJFJCQHVXMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-4-11-8-10-3-5(7(14)15-2)6(9)13(8)12-4/h3H,9H2,1-2H3.
What are the key properties of methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 207.19 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 28935045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).