2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid

C7H9N3O3 — CID 83817180

IUPAC2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid
SMILESO=C(O)Cn1ncn(C2CC2)c1=O
InChIInChI=1S/C7H9N3O3/c11-6(12)3-10-7(13)9(4-8-10)5-1-2-5/h4-5H,1-3H2,(H,11,12)
InChIKeyAMVZTIYBEXNFNK-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.54
Rot. Bonds3

About 2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid

2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid (PubChem CID 83817180) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid
PubChem CID83817180
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid
SMILESO=C(O)Cn1ncn(C2CC2)c1=O
InChIInChI=1S/C7H9N3O3/c11-6(12)3-10-7(13)9(4-8-10)5-1-2-5/h4-5H,1-3H2,(H,11,12)
InChIKeyAMVZTIYBEXNFNK-UHFFFAOYSA-N
XLogP-0.54
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid?
The IUPAC name of 2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid (CID 83817180) is 2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid is O=C(O)Cn1ncn(C2CC2)c1=O.
What is the InChIKey of 2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid?
The InChIKey is AMVZTIYBEXNFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-6(12)3-10-7(13)9(4-8-10)5-1-2-5/h4-5H,1-3H2,(H,11,12).
What are the key properties of 2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid?
2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid has a molecular weight of 183.17 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetic acid is sourced from PubChem (CID 83817180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).