1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

C10H7Cl2N3O — CID 10038017

IUPAC1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl2N3O/c11-8-2-1-7(3-9(8)12)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChIKeyMJUYTIHZMMPVBY-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.47
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 10038017) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID10038017
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl2N3O/c11-8-2-1-7(3-9(8)12)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChIKeyMJUYTIHZMMPVBY-UHFFFAOYSA-N
XLogP2.47
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethanone
CID 603161
1-phenyl-2-(1,2,4-triazol-1-yl)ethanone
CID 2764809
2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 54909683
1-(1-methylpyrrol-3-yl)-2-(1,2,4-triazol-1-yl)ethanone
CID 43798121
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1,2,4-triazol-1-yl)ethanone
CID 141417981
4-(4-chlorophenyl)-4-hydroxy-1-(1,2,4-triazol-1-yl)but-3-en-2-one
CID 171316137
N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 56822052
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
1-(3,4-dichlorophenyl)-2-sulfanylethanone
CID 58957134
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 64788698
N-[(Z)-(3,4-dichlorophenyl)methoxyiminomethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 136919721
1-[2-chloro-4-(2,4,6-trimethylphenoxy)phenyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 90161958

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone (CID 10038017) is 1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is MJUYTIHZMMPVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-8-2-1-7(3-9(8)12)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 256.09 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 10038017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).