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

C9H10N4O2 — CID 796158

IUPACmethyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C9H10N4O2/c1-5-4-6(2)13-9(10-5)11-7(12-13)8(14)15-3/h4H,1-3H3
InChIKeyLNBWUASCTKIACJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.53
Rot. Bonds1

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

methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 796158) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID796158
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Namemethyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C9H10N4O2/c1-5-4-6(2)13-9(10-5)11-7(12-13)8(14)15-3/h4H,1-3H3
InChIKeyLNBWUASCTKIACJ-UHFFFAOYSA-N
XLogP0.53
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 796158) is methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is LNBWUASCTKIACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-4-6(2)13-9(10-5)11-7(12-13)8(14)15-3/h4H,1-3H3.
What are the key properties of methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 796158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).