2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid

C16H20Cl2N4O3 — CID 163340417

IUPAC2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid
SMILESCCc1n[nH]c(CN2CCOC(c3ccc(Cl)c(Cl)c3)C2)n1.O=CO
InChIInChI=1S/C15H18Cl2N4O.CH2O2/c1-2-14-18-15(20-19-14)9-21-5-6-22-13(8-21)10-3-4-11(16)12(17)7-10;2-1-3/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,18,19,20);1H,(H,2,3)
InChIKeyZURZDYTVHDPYSG-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.95
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid

2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid (PubChem CID 163340417) has the molecular formula C16H20Cl2N4O3 and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid
PubChem CID163340417
Molecular FormulaC16H20Cl2N4O3
Molecular Weight387.27 g/mol
Exact Mass386.09
IUPAC Name2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid
SMILESCCc1n[nH]c(CN2CCOC(c3ccc(Cl)c(Cl)c3)C2)n1.O=CO
InChIInChI=1S/C15H18Cl2N4O.CH2O2/c1-2-14-18-15(20-19-14)9-21-5-6-22-13(8-21)10-3-4-11(16)12(17)7-10;2-1-3/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,18,19,20);1H,(H,2,3)
InChIKeyZURZDYTVHDPYSG-UHFFFAOYSA-N
XLogP2.95
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid 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

(2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine
CID 124622147
4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131935697
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558901
(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95557665
2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
CID 56919206
2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119931332

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid (CID 163340417) is 2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid is CCc1n[nH]c(CN2CCOC(c3ccc(Cl)c(Cl)c3)C2)n1.O=CO.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid?
The InChIKey is ZURZDYTVHDPYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O.CH2O2/c1-2-14-18-15(20-19-14)9-21-5-6-22-13(8-21)10-3-4-11(16)12(17)7-10;2-1-3/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,18,19,20);1H,(H,2,3).
What are the key properties of 2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid?
2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid has a molecular weight of 387.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid is sourced from PubChem (CID 163340417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).