2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid

C8H8N4O3 — CID 83883587

IUPAC2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1nc2ncc(CC(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C8H8N4O3/c1-4-10-8-9-3-5(2-6(13)14)7(15)12(8)11-4/h3H,2H2,1H3,(H,13,14)(H,9,10,11)
InChIKeyDXPSGJAKRFIETF-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.65
Rot. Bonds2

About 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid

2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 83883587) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID83883587
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1nc2ncc(CC(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C8H8N4O3/c1-4-10-8-9-3-5(2-6(13)14)7(15)12(8)11-4/h3H,2H2,1H3,(H,13,14)(H,9,10,11)
InChIKeyDXPSGJAKRFIETF-UHFFFAOYSA-N
XLogP-0.65
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 3108028
2-methyl-6-propan-2-yl-1H-imidazo[1,2-b][1,2,4]triazole
CID 22114380
2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 83896452
6-(aminomethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115025128
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 118791144
2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 90650543
2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 83895471
2-methyl-6-(3-methyl-3-phenylpiperidine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 72894036
2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
CID 67010725
6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 6499305
N-[4-(tert-butylcarbamoyl)cyclohexyl]-2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 169410869
6-(aminomethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115023926

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 83883587) is 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid is Cc1nc2ncc(CC(=O)O)c(=O)n2[nH]1.
What is the InChIKey of 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is DXPSGJAKRFIETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-4-10-8-9-3-5(2-6(13)14)7(15)12(8)11-4/h3H,2H2,1H3,(H,13,14)(H,9,10,11).
What are the key properties of 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 208.18 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83883587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).