3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid

C9H9N3O3 — CID 82283381

IUPAC3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cnc(-c2ccco2)n1
InChIInChI=1S/C9H9N3O3/c13-8(14)3-4-12-6-10-9(11-12)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyDXXKYTLPJOWYRR-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.01
Rot. Bonds4

About 3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid

3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid (PubChem CID 82283381) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid
PubChem CID82283381
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cnc(-c2ccco2)n1
InChIInChI=1S/C9H9N3O3/c13-8(14)3-4-12-6-10-9(11-12)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyDXXKYTLPJOWYRR-UHFFFAOYSA-N
XLogP1.01
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-(2-methylphenyl)-1,2,4-triazol-1-yl]propanoic acid
CID 82289099
3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid
CID 61007120
4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid
CID 23005243
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 43245014
1-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-2-phenylethanone
CID 977151
4-[4-(furan-2-yl)phenyl]butanoic acid
CID 23005257
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 726831
2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one
CID 62024913
4-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28897471
2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid
CID 81298403
2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid
CID 103224370
3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806052

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid (CID 82283381) is 3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid is O=C(O)CCn1cnc(-c2ccco2)n1.
What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid?
The InChIKey is DXXKYTLPJOWYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-8(14)3-4-12-6-10-9(11-12)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,13,14).
What are the key properties of 3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid?
3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid has a molecular weight of 207.19 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid is sourced from PubChem (CID 82283381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).