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

C9H10N4O2 — CID 6486001

IUPAC7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)nc2ncnn12
InChIInChI=1S/C9H10N4O2/c1-5(2)7-3-6(8(14)15)12-9-10-4-11-13(7)9/h3-5H,1-2H3,(H,14,15)
InChIKeyNCBNAZDSHQXLRS-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.95
Rot. Bonds2

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

7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 6486001) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID6486001
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)nc2ncnn12
InChIInChI=1S/C9H10N4O2/c1-5(2)7-3-6(8(14)15)12-9-10-4-11-13(7)9/h3-5H,1-2H3,(H,14,15)
InChIKeyNCBNAZDSHQXLRS-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 6486001) is 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)c1cc(C(=O)O)nc2ncnn12.
What is the InChIKey of 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is NCBNAZDSHQXLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5(2)7-3-6(8(14)15)12-9-10-4-11-13(7)9/h3-5H,1-2H3,(H,14,15).
What are the key properties of 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 6486001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).