2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine

C13H16Cl2N4 — CID 23634981

IUPAC2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCN(C)CC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N4/c1-18(2)6-10(7-19-9-16-8-17-19)12-4-3-11(14)5-13(12)15/h3-5,8-10H,6-7H2,1-2H3
InChIKeyVVAHSRGNFFZYBO-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.93
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine

2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 23634981) has the molecular formula C13H16Cl2N4 and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID23634981
Molecular FormulaC13H16Cl2N4
Molecular Weight299.21 g/mol
Exact Mass298.08
IUPAC Name2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCN(C)CC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N4/c1-18(2)6-10(7-19-9-16-8-17-19)12-4-3-11(14)5-13(12)15/h3-5,8-10H,6-7H2,1-2H3
InChIKeyVVAHSRGNFFZYBO-UHFFFAOYSA-N
XLogP2.93
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dichlorophenyl)-3-(2,2-difluoroethoxy)propyl]-1,2,4-triazole
CID 58921762
1-[2-(2,4-dichlorophenyl)-4-methylpentyl]-1,2,4-triazole;nitric acid
CID 70453532
N-benzyl-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 23635099
3-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propoxy]propanenitrile
CID 10568043
1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)propyl]-1,2,4-triazole;nitric acid
CID 70453607
N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 23634861
1-[2-(2,4-dichlorophenyl)-3-[(E)-3-phenylprop-2-enoxy]propyl]-1,2,4-triazole
CID 10572328
2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol
CID 89492984
1-[2-(2,4-dichlorophenyl)-2-ethoxyethyl]-1,2,4-triazole;nitric acid
CID 70453630
1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70382628
1-[3-(2,4-dichlorophenyl)-6-[4-(2,4-dichlorophenyl)-1,1,2,2-tetrafluoro-6-(1,2,4-triazol-1-yl)hexoxy]-5,5,6,6-tetrafluorohexyl]-1,2,4-triazole
CID 23213337
1-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-methylbutyl]-1,2,4-triazole
CID 141401104

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 23634981) is 2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine is CN(C)CC(Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is VVAHSRGNFFZYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4/c1-18(2)6-10(7-19-9-16-8-17-19)12-4-3-11(14)5-13(12)15/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 299.21 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 23634981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).