N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide

C10H9Cl2N5O — CID 16788926

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)Cn1cncn1
InChIInChI=1S/C10H9Cl2N5O/c11-6-1-7(12)10(8(13)2-6)16-9(18)3-17-5-14-4-15-17/h1-2,4-5H,3,13H2,(H,16,18)
InChIKeyWONIQLCVCHKDAX-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.81
Rot. Bonds3

About N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 16788926) has the molecular formula C10H9Cl2N5O and a molecular weight of 286.12 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID16788926
Molecular FormulaC10H9Cl2N5O
Molecular Weight286.12 g/mol
Exact Mass285.02
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)Cn1cncn1
InChIInChI=1S/C10H9Cl2N5O/c11-6-1-7(12)10(8(13)2-6)16-9(18)3-17-5-14-4-15-17/h1-2,4-5H,3,13H2,(H,16,18)
InChIKeyWONIQLCVCHKDAX-UHFFFAOYSA-N
XLogP1.81
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 29276076
N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225560
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 64788698
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 43619929
N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 115683262
N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103747510
N-(2-amino-4,6-dichlorophenyl)-2-(5-bromo-2-oxo-1-pyridinyl)acetamide
CID 28552043
N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103479652
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 29276726
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 16788926) is N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide is Nc1cc(Cl)cc(Cl)c1NC(=O)Cn1cncn1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is WONIQLCVCHKDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O/c11-6-1-7(12)10(8(13)2-6)16-9(18)3-17-5-14-4-15-17/h1-2,4-5H,3,13H2,(H,16,18).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 286.12 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 16788926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).