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

C10H12N6O3 — CID 5172373

IUPAC7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESNc1c(C(=O)O)cnc2nc(N3CCOCC3)nn12
InChIInChI=1S/C10H12N6O3/c11-7-6(8(17)18)5-12-9-13-10(14-16(7)9)15-1-3-19-4-2-15/h5H,1-4,11H2,(H,17,18)
InChIKeyQWJYBIPYTIQUKH-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.76
Rot. Bonds2

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

7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 5172373) has the molecular formula C10H12N6O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID5172373
Molecular FormulaC10H12N6O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESNc1c(C(=O)O)cnc2nc(N3CCOCC3)nn12
InChIInChI=1S/C10H12N6O3/c11-7-6(8(17)18)5-12-9-13-10(14-16(7)9)15-1-3-19-4-2-15/h5H,1-4,11H2,(H,17,18)
InChIKeyQWJYBIPYTIQUKH-UHFFFAOYSA-N
XLogP-0.76
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 5172373) is 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is Nc1c(C(=O)O)cnc2nc(N3CCOCC3)nn12.
What is the InChIKey of 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is QWJYBIPYTIQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c11-7-6(8(17)18)5-12-9-13-10(14-16(7)9)15-1-3-19-4-2-15/h5H,1-4,11H2,(H,17,18).
What are the key properties of 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 5172373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).