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

C7H6N4O2 — CID 3697061

IUPAC7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1ccnc2nc(C(=O)O)nn12
InChIInChI=1S/C7H6N4O2/c1-4-2-3-8-7-9-5(6(12)13)10-11(4)7/h2-3H,1H3,(H,12,13)
InChIKeyHIMHCANUPPOVPH-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.13
Rot. Bonds1

About 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 3697061) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID3697061
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1ccnc2nc(C(=O)O)nn12
InChIInChI=1S/C7H6N4O2/c1-4-2-3-8-7-9-5(6(12)13)10-11(4)7/h2-3H,1H3,(H,12,13)
InChIKeyHIMHCANUPPOVPH-UHFFFAOYSA-N
XLogP0.13
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 3697061) is 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1ccnc2nc(C(=O)O)nn12.
What is the InChIKey of 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is HIMHCANUPPOVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-4-2-3-8-7-9-5(6(12)13)10-11(4)7/h2-3H,1H3,(H,12,13).
What are the key properties of 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 3697061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).