7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

C10H12N4O2 — CID 84685593

IUPAC7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)cnc2nc(C(C)C)nn12
InChIInChI=1S/C10H12N4O2/c1-5(2)8-12-10-11-4-7(9(15)16)6(3)14(10)13-8/h4-5H,1-3H3,(H,15,16)
InChIKeyPWGGJUSYTTVFRJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.25
Rot. Bonds2

About 7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 84685593) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID84685593
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)cnc2nc(C(C)C)nn12
InChIInChI=1S/C10H12N4O2/c1-5(2)8-12-10-11-4-7(9(15)16)6(3)14(10)13-8/h4-5H,1-3H3,(H,15,16)
InChIKeyPWGGJUSYTTVFRJ-UHFFFAOYSA-N
XLogP1.25
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 84685593) is 7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)cnc2nc(C(C)C)nn12.
What is the InChIKey of 7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is PWGGJUSYTTVFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-5(2)8-12-10-11-4-7(9(15)16)6(3)14(10)13-8/h4-5H,1-3H3,(H,15,16).
What are the key properties of 7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84685593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).