N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine

C16H20Cl2N6 — CID 112946018

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCN1CCN(c2nncc(NCCc3ccc(Cl)cc3Cl)n2)CC1
InChIInChI=1S/C16H20Cl2N6/c1-23-6-8-24(9-7-23)16-21-15(11-20-22-16)19-5-4-12-2-3-13(17)10-14(12)18/h2-3,10-11H,4-9H2,1H3,(H,19,21,22)
InChIKeyFGCVKXNXALTAEG-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.58
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine

N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112946018) has the molecular formula C16H20Cl2N6 and a molecular weight of 367.28 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112946018
Molecular FormulaC16H20Cl2N6
Molecular Weight367.28 g/mol
Exact Mass366.11
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCN1CCN(c2nncc(NCCc3ccc(Cl)cc3Cl)n2)CC1
InChIInChI=1S/C16H20Cl2N6/c1-23-6-8-24(9-7-23)16-21-15(11-20-22-16)19-5-4-12-2-3-13(17)10-14(12)18/h2-3,10-11H,4-9H2,1H3,(H,19,21,22)
InChIKeyFGCVKXNXALTAEG-UHFFFAOYSA-N
XLogP2.58
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888143
N-(5-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946051
3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112959021
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945310
3-N-(4-chlorophenyl)-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112961209
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine
CID 112938357
2-(azepan-1-yl)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidin-4-amine
CID 112901497
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939761
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112961212
N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112945960
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112946018) is N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is CN1CCN(c2nncc(NCCc3ccc(Cl)cc3Cl)n2)CC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is FGCVKXNXALTAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N6/c1-23-6-8-24(9-7-23)16-21-15(11-20-22-16)19-5-4-12-2-3-13(17)10-14(12)18/h2-3,10-11H,4-9H2,1H3,(H,19,21,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 367.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112946018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).