1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone

C10H8Cl2N4O2 — CID 891580

IUPAC1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone
SMILESNc1nncn1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N4O2/c11-6-1-2-8(7(12)3-6)18-4-9(17)16-5-14-15-10(16)13/h1-3,5H,4H2,(H2,13,15)
InChIKeyNUBDEWAMQBXSBS-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.89
Rot. Bonds3

About 1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone

1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone (PubChem CID 891580) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone
PubChem CID891580
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone
SMILESNc1nncn1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N4O2/c11-6-1-2-8(7(12)3-6)18-4-9(17)16-5-14-15-10(16)13/h1-3,5H,4H2,(H2,13,15)
InChIKeyNUBDEWAMQBXSBS-UHFFFAOYSA-N
XLogP1.89
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone 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-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone?
The IUPAC name of 1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone (CID 891580) is 1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone?
The canonical SMILES for 1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone is Nc1nncn1C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone?
The InChIKey is NUBDEWAMQBXSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c11-6-1-2-8(7(12)3-6)18-4-9(17)16-5-14-15-10(16)13/h1-3,5H,4H2,(H2,13,15).
What are the key properties of 1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone?
1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone has a molecular weight of 287.11 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone is sourced from PubChem (CID 891580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).