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

C11H12Cl2N4 — CID 23634859

IUPAC2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESNCC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4/c12-9-1-2-10(11(13)3-9)8(4-14)5-17-7-15-6-16-17/h1-3,6-8H,4-5,14H2
InChIKeyCDZUOCGTSCGPBE-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.33
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 23634859) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID23634859
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESNCC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4/c12-9-1-2-10(11(13)3-9)8(4-14)5-17-7-15-6-16-17/h1-3,6-8H,4-5,14H2
InChIKeyCDZUOCGTSCGPBE-UHFFFAOYSA-N
XLogP2.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine 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 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 23634859) is 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine is NCC(Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is CDZUOCGTSCGPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c12-9-1-2-10(11(13)3-9)8(4-14)5-17-7-15-6-16-17/h1-3,6-8H,4-5,14H2.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine?
2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 271.15 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 23634859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).