5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide

C10H8Cl2N4O2 — CID 1473643

IUPAC5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H8Cl2N4O2/c11-5-1-2-7(6(12)3-5)18-4-8-14-10(9(13)17)16-15-8/h1-3H,4H2,(H2,13,17)(H,14,15,16)
InChIKeyHZRFDXVYQRQBOD-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.79
Rot. Bonds4

About 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide

5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 1473643) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID1473643
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H8Cl2N4O2/c11-5-1-2-7(6(12)3-5)18-4-8-14-10(9(13)17)16-15-8/h1-3H,4H2,(H2,13,17)(H,14,15,16)
InChIKeyHZRFDXVYQRQBOD-UHFFFAOYSA-N
XLogP1.79
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide 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 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide (CID 1473643) is 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide is NC(=O)c1n[nH]c(COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is HZRFDXVYQRQBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c11-5-1-2-7(6(12)3-5)18-4-8-14-10(9(13)17)16-15-8/h1-3H,4H2,(H2,13,17)(H,14,15,16).
What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide?
5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 287.11 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 1473643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).