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

C12H17ClF3N5 — CID 62864136

IUPAC4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H17ClF3N5/c1-2-5-21(8-12(14,15)16)11-18-9(13)17-10(19-11)20-6-3-4-7-20/h2-8H2,1H3
InChIKeyNBBGJVAOZVJUTM-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.90
Rot. Bonds5

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

4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 62864136) has the molecular formula C12H17ClF3N5 and a molecular weight of 323.75 g/mol. Its IUPAC name is 4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID62864136
Molecular FormulaC12H17ClF3N5
Molecular Weight323.75 g/mol
Exact Mass323.11
IUPAC Name4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H17ClF3N5/c1-2-5-21(8-12(14,15)16)11-18-9(13)17-10(19-11)20-6-3-4-7-20/h2-8H2,1H3
InChIKeyNBBGJVAOZVJUTM-UHFFFAOYSA-N
XLogP2.90
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 62864136) is 4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CCCN(CC(F)(F)F)c1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is NBBGJVAOZVJUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N5/c1-2-5-21(8-12(14,15)16)11-18-9(13)17-10(19-11)20-6-3-4-7-20/h2-8H2,1H3.
What are the key properties of 4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 323.75 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).