4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine

C13H23ClN4O — CID 80862197

IUPAC4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
SMILESCCCCCCCCOc1nc(Cl)nc(NCC)n1
InChIInChI=1S/C13H23ClN4O/c1-3-5-6-7-8-9-10-19-13-17-11(14)16-12(18-13)15-4-2/h3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyQNEYQJPEMXGSJS-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.70
Rot. Bonds10

About 4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine (PubChem CID 80862197) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
PubChem CID80862197
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
SMILESCCCCCCCCOc1nc(Cl)nc(NCC)n1
InChIInChI=1S/C13H23ClN4O/c1-3-5-6-7-8-9-10-19-13-17-11(14)16-12(18-13)15-4-2/h3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyQNEYQJPEMXGSJS-UHFFFAOYSA-N
XLogP3.70
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
4-chloro-N-methyl-6-octoxy-1,3,5-triazin-2-amine
CID 80861536
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871228
4-chloro-N-ethyl-6-(3-phenylpropoxy)-1,3,5-triazin-2-amine
CID 80873827
2-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871608
2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
CID 62857809
4-chloro-6-hexoxy-1,3,5-triazin-2-amine
CID 80861147
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine (CID 80862197) is 4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine is CCCCCCCCOc1nc(Cl)nc(NCC)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine?
The InChIKey is QNEYQJPEMXGSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-3-5-6-7-8-9-10-19-13-17-11(14)16-12(18-13)15-4-2/h3-10H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine has a molecular weight of 286.81 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80862197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).