2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid

C9H8N4O2 — CID 62875351

IUPAC2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nnc2ncccn12
InChIInChI=1S/C9H8N4O2/c14-8(15)6-4-5(6)7-11-12-9-10-2-1-3-13(7)9/h1-3,5-6H,4H2,(H,14,15)
InChIKeyXEEKAWGZSKTZSI-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.31
Rot. Bonds2

About 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid

2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 62875351) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid
PubChem CID62875351
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nnc2ncccn12
InChIInChI=1S/C9H8N4O2/c14-8(15)6-4-5(6)7-11-12-9-10-2-1-3-13(7)9/h1-3,5-6H,4H2,(H,14,15)
InChIKeyXEEKAWGZSKTZSI-UHFFFAOYSA-N
XLogP0.31
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-((1,2,4)Triazolo(1,5-a)pyrimidin-2-yl)propanoic acid
CID 25248712
1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71778751
2-(Pyrimidin-2-yl)cyclopropane-1-carboxylic acid
CID 116998346
rac-(1R,2R)-2-(pyrimidin-2-yl)cyclopropane-1-carboxylic acid
CID 137964669
2-Pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 166025567
trans-(1R,2S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 174213587
2-[(6-Chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 174213588
3-([1,2,4]Triazolo[4,3-a]pyrimidin-3-yl)propanoic acid
CID 28804513
4-([1,2,4]Triazolo[4,3-a]pyrimidin-3-yl)butanoic acid
CID 28804515
1-([1,2,4]Triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopentane-1-carboxylic acid
CID 55126031
2-[1-([1,2,4]Triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopentyl]acetic acid
CID 55126032
2-(7-Methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid
CID 62874346

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid (CID 62875351) is 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nnc2ncccn12.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is XEEKAWGZSKTZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-8(15)6-4-5(6)7-11-12-9-10-2-1-3-13(7)9/h1-3,5-6H,4H2,(H,14,15).
What are the key properties of 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid?
2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62875351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).