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

C15H19Cl2N5 — CID 112959021

IUPAC3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCC(C)(C)Nc1nncc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H19Cl2N5/c1-15(2,3)21-14-20-13(9-19-22-14)18-7-6-10-4-5-11(16)8-12(10)17/h4-5,8-9H,6-7H2,1-3H3,(H2,18,20,21,22)
InChIKeyXBCITAOBHOEWEO-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.04
Rot. Bonds5

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

3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine (PubChem CID 112959021) has the molecular formula C15H19Cl2N5 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
PubChem CID112959021
Molecular FormulaC15H19Cl2N5
Molecular Weight340.26 g/mol
Exact Mass339.10
IUPAC Name3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCC(C)(C)Nc1nncc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H19Cl2N5/c1-15(2,3)21-14-20-13(9-19-22-14)18-7-6-10-4-5-11(16)8-12(10)17/h4-5,8-9H,6-7H2,1-3H3,(H2,18,20,21,22)
InChIKeyXBCITAOBHOEWEO-UHFFFAOYSA-N
XLogP4.04
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(4-chlorophenyl)-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112961209
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
3-N-tert-butyl-5-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953397
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946018
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112961236
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945310
3-N-tert-butyl-5-N-(5-chloro-2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959054
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112961243
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942263
6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80785532

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine (CID 112959021) is 3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine is CC(C)(C)Nc1nncc(NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is XBCITAOBHOEWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5/c1-15(2,3)21-14-20-13(9-19-22-14)18-7-6-10-4-5-11(16)8-12(10)17/h4-5,8-9H,6-7H2,1-3H3,(H2,18,20,21,22).
What are the key properties of 3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 340.26 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112959021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).