2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole

C15H19Cl2N3O2 — CID 139990454

IUPAC2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole
SMILESCCCC1COC(C(c2ccc(Cl)cc2Cl)N2CN=CN2)O1
InChIInChI=1S/C15H19Cl2N3O2/c1-2-3-11-7-21-15(22-11)14(20-9-18-8-19-20)12-5-4-10(16)6-13(12)17/h4-6,8,11,14-15H,2-3,7,9H2,1H3,(H,18,19)
InChIKeyRQLIPBGYKQHSJT-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.38
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole

2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole (PubChem CID 139990454) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole
PubChem CID139990454
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole
SMILESCCCC1COC(C(c2ccc(Cl)cc2Cl)N2CN=CN2)O1
InChIInChI=1S/C15H19Cl2N3O2/c1-2-3-11-7-21-15(22-11)14(20-9-18-8-19-20)12-5-4-10(16)6-13(12)17/h4-6,8,11,14-15H,2-3,7,9H2,1H3,(H,18,19)
InChIKeyRQLIPBGYKQHSJT-UHFFFAOYSA-N
XLogP3.38
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 19843529
4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-propylmorpholine
CID 59435462
1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
CID 171281865
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63952139
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine
CID 54907161
2-[3-chloro-3-(2,4-dichlorophenyl)propyl]oxane
CID 63951587
1-[4-[4-[[2-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
CID 139229719
1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole;2H-triazole
CID 66770205
4-[bromo-(2,4-dichlorophenyl)methyl]-2-methyloxolane
CID 114826962

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole?
The IUPAC name of 2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole (CID 139990454) is 2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole?
The canonical SMILES for 2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole is CCCC1COC(C(c2ccc(Cl)cc2Cl)N2CN=CN2)O1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole?
The InChIKey is RQLIPBGYKQHSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-2-3-11-7-21-15(22-11)14(20-9-18-8-19-20)12-5-4-10(16)6-13(12)17/h4-6,8,11,14-15H,2-3,7,9H2,1H3,(H,18,19).
What are the key properties of 2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole?
2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole has a molecular weight of 344.24 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)-(4-propyl-1,3-dioxolan-2-yl)methyl]-1,3-dihydro-1,2,4-triazole is sourced from PubChem (CID 139990454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).