4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C11H16ClF3N4O — CID 62863789

IUPAC4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(CCC)CC(F)(F)F)n1
InChIInChI=1S/C11H16ClF3N4O/c1-3-5-19(7-11(13,14)15)9-16-8(12)17-10(18-9)20-6-4-2/h3-7H2,1-2H3
InChIKeyIMKJWXHKJUZQEG-UHFFFAOYSA-N
MW312.72 g/mol
LogP3.09
Rot. Bonds7

About 4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 62863789) has the molecular formula C11H16ClF3N4O and a molecular weight of 312.72 g/mol. Its IUPAC name is 4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID62863789
Molecular FormulaC11H16ClF3N4O
Molecular Weight312.72 g/mol
Exact Mass312.10
IUPAC Name4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(CCC)CC(F)(F)F)n1
InChIInChI=1S/C11H16ClF3N4O/c1-3-5-19(7-11(13,14)15)9-16-8(12)17-10(18-9)20-6-4-2/h3-7H2,1-2H3
InChIKeyIMKJWXHKJUZQEG-UHFFFAOYSA-N
XLogP3.09
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 62863789) is 4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(N(CCC)CC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is IMKJWXHKJUZQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF3N4O/c1-3-5-19(7-11(13,14)15)9-16-8(12)17-10(18-9)20-6-4-2/h3-7H2,1-2H3.
What are the key properties of 4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 312.72 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).