1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid

C7H9N3O3 — CID 107410414

IUPAC1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cn2cn[nH]c2=O)CC1
InChIInChI=1S/C7H9N3O3/c11-5(12)7(1-2-7)3-10-4-8-9-6(10)13/h4H,1-3H2,(H,9,13)(H,11,12)
InChIKeyXVMDOZPVMZGMOR-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.56
Rot. Bonds3

About 1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid

1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 107410414) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID107410414
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cn2cn[nH]c2=O)CC1
InChIInChI=1S/C7H9N3O3/c11-5(12)7(1-2-7)3-10-4-8-9-6(10)13/h4H,1-3H2,(H,9,13)(H,11,12)
InChIKeyXVMDOZPVMZGMOR-UHFFFAOYSA-N
XLogP-0.56
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 ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid (CID 107410414) is 1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(Cn2cn[nH]c2=O)CC1.
What is the InChIKey of 1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XVMDOZPVMZGMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-5(12)7(1-2-7)3-10-4-8-9-6(10)13/h4H,1-3H2,(H,9,13)(H,11,12).
What are the key properties of 1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid?
1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 183.17 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxo-1H-1,2,4-triazol-4-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 107410414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).