2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid

C8H7N5O3 — CID 842627

IUPAC2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C8H7N5O3/c14-5(15)4-10-7(16)6-11-8-9-2-1-3-13(8)12-6/h1-3H,4H2,(H,10,16)(H,14,15)
InChIKeyOPVKAJXZPPRJFN-UHFFFAOYSA-N
MW221.18 g/mol
LogP-1.06
Rot. Bonds3

About 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid

2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid (PubChem CID 842627) has the molecular formula C8H7N5O3 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid
PubChem CID842627
Molecular FormulaC8H7N5O3
Molecular Weight221.18 g/mol
Exact Mass221.05
IUPAC Name2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C8H7N5O3/c14-5(15)4-10-7(16)6-11-8-9-2-1-3-13(8)12-6/h1-3H,4H2,(H,10,16)(H,14,15)
InChIKeyOPVKAJXZPPRJFN-UHFFFAOYSA-N
XLogP-1.06
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1,2,4)Triazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 1263650
N-cycloheptyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 644513
ethyl N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylcarbonyl)glycinate
CID 4299604
N-cyclopentyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821801
N-[3-(1H-pyrazol-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583882
2-[4-[3-[(2-Fluoropyrimidin-4-yl)amino]propanoylamino]pyrazol-1-yl]acetic acid
CID 171654630
[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxamide
CID 577503
5-(2-Pyrimidyl)tetrazole-2-acetic acid
CID 101881976
5-(2-Pyrimidyl)tetrazole-1-acetic acid
CID 129856902
N-{2-[(2,2,2-trifluoroacetyl)amino]ethyl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 56715598
2-[Pyrazolo[1,5-a]pyrimidin-5-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 113296586
N-(3,3-difluoro-2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 132323712

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid?
The IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid (CID 842627) is 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid?
The canonical SMILES for 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid is O=C(O)CNC(=O)c1nc2ncccn2n1.
What is the InChIKey of 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid?
The InChIKey is OPVKAJXZPPRJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3/c14-5(15)4-10-7(16)6-11-8-9-2-1-3-13(8)12-6/h1-3H,4H2,(H,10,16)(H,14,15).
What are the key properties of 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid?
2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid has a molecular weight of 221.18 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetic acid is sourced from PubChem (CID 842627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).