4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole

C15H20ClN3O2 — CID 112719680

IUPAC4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole
SMILESCCOc1cc(OCC)c(C(C)Cc2cn[nH]n2)cc1Cl
InChIInChI=1S/C15H20ClN3O2/c1-4-20-14-8-15(21-5-2)13(16)7-12(14)10(3)6-11-9-17-19-18-11/h7-10H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyVSLHNZHOOOKXJG-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.60
Rot. Bonds7

About 4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole

4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole (PubChem CID 112719680) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole
PubChem CID112719680
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole
SMILESCCOc1cc(OCC)c(C(C)Cc2cn[nH]n2)cc1Cl
InChIInChI=1S/C15H20ClN3O2/c1-4-20-14-8-15(21-5-2)13(16)7-12(14)10(3)6-11-9-17-19-18-11/h7-10H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyVSLHNZHOOOKXJG-UHFFFAOYSA-N
XLogP3.60
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-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

4-[2-(5-chloro-2,4-diethoxyphenyl)butyl]-2H-triazole
CID 112719681
4-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]-2H-triazole
CID 112719678
4-[2-(5-chloro-2,3,4-trimethoxyphenyl)propyl]-2H-triazole
CID 112717614
4-[2-(2-chloro-4,5-diethoxyphenyl)butyl]-2H-triazole
CID 112719703
4-[2-(3,5-dichloro-2-propoxyphenyl)propyl]-2H-triazole
CID 112719483
4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole
CID 112719219
4-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-2H-triazole
CID 112717204
4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol
CID 83943493
4-[2-(2-bromo-4,5-dimethoxyphenyl)propyl]-2H-triazole
CID 112719708
4-[2-(3,5-dichloro-2-ethoxyphenyl)butyl]-2H-triazole
CID 112719475
4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole
CID 112719037
1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine
CID 112513504

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole?
The IUPAC name of 4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole (CID 112719680) is 4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole.
What is the SMILES notation for 4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole?
The canonical SMILES for 4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole is CCOc1cc(OCC)c(C(C)Cc2cn[nH]n2)cc1Cl.
What is the InChIKey of 4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole?
The InChIKey is VSLHNZHOOOKXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-4-20-14-8-15(21-5-2)13(16)7-12(14)10(3)6-11-9-17-19-18-11/h7-10H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of 4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole?
4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole has a molecular weight of 309.80 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole is sourced from PubChem (CID 112719680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).