2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid

C10H7Cl2N3O2 — CID 18739497

IUPAC2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-5(2-7(12)3-6)10-13-8(14-15-10)4-9(16)17/h1-3H,4H2,(H,16,17)(H,13,14,15)
InChIKeyIQXBSIBXAIHFKM-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.41
Rot. Bonds3

About 2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid

2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid (PubChem CID 18739497) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid
PubChem CID18739497
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-5(2-7(12)3-6)10-13-8(14-15-10)4-9(16)17/h1-3H,4H2,(H,16,17)(H,13,14,15)
InChIKeyIQXBSIBXAIHFKM-UHFFFAOYSA-N
XLogP2.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic 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 2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid (CID 18739497) is 2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid is O=C(O)Cc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1.
What is the InChIKey of 2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid?
The InChIKey is IQXBSIBXAIHFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-6-1-5(2-7(12)3-6)10-13-8(14-15-10)4-9(16)17/h1-3H,4H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid?
2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid has a molecular weight of 272.09 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid is sourced from PubChem (CID 18739497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).