6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid

C12H16N4O2 — CID 174213332

IUPAC6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
SMILESO=C(O)N1CC2(CC(n3ncnc3C3CC3)C2)C1
InChIInChI=1S/C12H16N4O2/c17-11(18)15-5-12(6-15)3-9(4-12)16-10(8-1-2-8)13-7-14-16/h7-9H,1-6H2,(H,17,18)
InChIKeyLZWORNFCQXYJLC-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.47
Rot. Bonds2

About 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid

6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid (PubChem CID 174213332) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
PubChem CID174213332
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
SMILESO=C(O)N1CC2(CC(n3ncnc3C3CC3)C2)C1
InChIInChI=1S/C12H16N4O2/c17-11(18)15-5-12(6-15)3-9(4-12)16-10(8-1-2-8)13-7-14-16/h7-9H,1-6H2,(H,17,18)
InChIKeyLZWORNFCQXYJLC-UHFFFAOYSA-N
XLogP1.47
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-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 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid (CID 174213332) is 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid is O=C(O)N1CC2(CC(n3ncnc3C3CC3)C2)C1.
What is the InChIKey of 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The InChIKey is LZWORNFCQXYJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-11(18)15-5-12(6-15)3-9(4-12)16-10(8-1-2-8)13-7-14-16/h7-9H,1-6H2,(H,17,18).
What are the key properties of 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid has a molecular weight of 248.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 174213332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).