2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid

C7H9N3O3 — CID 136966019

IUPAC2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
SMILESO=C(O)Cc1nn(C2CC2)c(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c11-6(12)3-5-8-7(13)10(9-5)4-1-2-4/h4H,1-3H2,(H,11,12)(H,8,9,13)
InChIKeyONGOJOWPVHUUPO-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.47
Rot. Bonds3

About 2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid

2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid (PubChem CID 136966019) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
PubChem CID136966019
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
SMILESO=C(O)Cc1nn(C2CC2)c(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c11-6(12)3-5-8-7(13)10(9-5)4-1-2-4/h4H,1-3H2,(H,11,12)(H,8,9,13)
InChIKeyONGOJOWPVHUUPO-UHFFFAOYSA-N
XLogP-0.47
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid (CID 136966019) is 2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid is O=C(O)Cc1nn(C2CC2)c(=O)[nH]1.
What is the InChIKey of 2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
The InChIKey is ONGOJOWPVHUUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-6(12)3-5-8-7(13)10(9-5)4-1-2-4/h4H,1-3H2,(H,11,12)(H,8,9,13).
What are the key properties of 2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid?
2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid has a molecular weight of 183.17 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid is sourced from PubChem (CID 136966019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).