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

C14H16Cl2N4 — CID 23634975

IUPAC2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESC=CCNCC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N4/c1-2-5-17-7-11(8-20-10-18-9-19-20)13-4-3-12(15)6-14(13)16/h2-4,6,9-11,17H,1,5,7-8H2
InChIKeyPPRLJIWAZGQDPF-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.14
Rot. Bonds7

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

2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 23634975) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID23634975
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESC=CCNCC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N4/c1-2-5-17-7-11(8-20-10-18-9-19-20)13-4-3-12(15)6-14(13)16/h2-4,6,9-11,17H,1,5,7-8H2
InChIKeyPPRLJIWAZGQDPF-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichlorophenyl)-N-prop-2-enyl-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)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 23634975) is 2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine is C=CCNCC(Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is PPRLJIWAZGQDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-2-5-17-7-11(8-20-10-18-9-19-20)13-4-3-12(15)6-14(13)16/h2-4,6,9-11,17H,1,5,7-8H2.
What are the key properties of 2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 311.22 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-prop-2-enyl-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 23634975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).