2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

C9H10N4O2 — CID 114514173

IUPAC2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCc1nc2nc(C)c(C(=O)O)cn2n1
InChIInChI=1S/C9H10N4O2/c1-3-7-11-9-10-5(2)6(8(14)15)4-13(9)12-7/h4H,3H2,1-2H3,(H,14,15)
InChIKeyWVPWUJBRECAWNU-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.69
Rot. Bonds2

About 2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 114514173) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID114514173
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCc1nc2nc(C)c(C(=O)O)cn2n1
InChIInChI=1S/C9H10N4O2/c1-3-7-11-9-10-5(2)6(8(14)15)4-13(9)12-7/h4H,3H2,1-2H3,(H,14,15)
InChIKeyWVPWUJBRECAWNU-UHFFFAOYSA-N
XLogP0.69
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 114514173) is 2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is CCc1nc2nc(C)c(C(=O)O)cn2n1.
What is the InChIKey of 2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is WVPWUJBRECAWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-3-7-11-9-10-5(2)6(8(14)15)4-13(9)12-7/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 114514173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).