3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine

C10H17ClN4O2 — CID 55124601

IUPAC3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCCOc1nc(Cl)nc(OCCCN(C)C)n1
InChIInChI=1S/C10H17ClN4O2/c1-4-16-9-12-8(11)13-10(14-9)17-7-5-6-15(2)3/h4-7H2,1-3H3
InChIKeyZJGLEMIWUZDEKS-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.25
Rot. Bonds7

About 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine

3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine (PubChem CID 55124601) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
PubChem CID55124601
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC Name3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCCOc1nc(Cl)nc(OCCCN(C)C)n1
InChIInChI=1S/C10H17ClN4O2/c1-4-16-9-12-8(11)13-10(14-9)17-7-5-6-15(2)3/h4-7H2,1-3H3
InChIKeyZJGLEMIWUZDEKS-UHFFFAOYSA-N
XLogP1.25
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine (CID 55124601) is 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine is CCOc1nc(Cl)nc(OCCCN(C)C)n1.
What is the InChIKey of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is ZJGLEMIWUZDEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-4-16-9-12-8(11)13-10(14-9)17-7-5-6-15(2)3/h4-7H2,1-3H3.
What are the key properties of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine?
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 260.72 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 55124601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).