5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine

C17H22Cl2N6O — CID 112945310

IUPAC5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(CCNc2cnnc(NCCN3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C17H22Cl2N6O/c18-14-2-1-13(15(19)11-14)3-4-20-16-12-22-24-17(23-16)21-5-6-25-7-9-26-10-8-25/h1-2,11-12H,3-10H2,(H2,20,21,23,24)
InChIKeyFZYOVHIUPRBEHJ-UHFFFAOYSA-N
MW397.31 g/mol
LogP2.58
Rot. Bonds8

About 5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine

5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112945310) has the molecular formula C17H22Cl2N6O and a molecular weight of 397.31 g/mol. Its IUPAC name is 5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112945310
Molecular FormulaC17H22Cl2N6O
Molecular Weight397.31 g/mol
Exact Mass396.12
IUPAC Name5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(CCNc2cnnc(NCCN3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C17H22Cl2N6O/c18-14-2-1-13(15(19)11-14)3-4-20-16-12-22-24-17(23-16)21-5-6-25-7-9-26-10-8-25/h1-2,11-12H,3-10H2,(H2,20,21,23,24)
InChIKeyFZYOVHIUPRBEHJ-UHFFFAOYSA-N
XLogP2.58
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945274
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945103
3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945086
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939761
3-N-(4-chlorophenyl)-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112961209
3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112959021
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946018
5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945299
5-N-(3-chloro-2-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945342
5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942263
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108984345
3-N-(2,6-dimethylphenyl)-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945153

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine (CID 112945310) is 5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine is Clc1ccc(CCNc2cnnc(NCCN3CCOCC3)n2)c(Cl)c1.
What is the InChIKey of 5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is FZYOVHIUPRBEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N6O/c18-14-2-1-13(15(19)11-14)3-4-20-16-12-22-24-17(23-16)21-5-6-25-7-9-26-10-8-25/h1-2,11-12H,3-10H2,(H2,20,21,23,24).
What are the key properties of 5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 397.31 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112945310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).