4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine

C12H17ClF3N5 — CID 80830162

IUPAC4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H17ClF3N5/c1-2-5-17-10-18-9(13)19-11(20-10)21-6-3-8(4-7-21)12(14,15)16/h8H,2-7H2,1H3,(H,17,18,19,20)
InChIKeyYUXWTLNSPFFSQM-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.13
Rot. Bonds4

About 4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine

4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80830162) has the molecular formula C12H17ClF3N5 and a molecular weight of 323.75 g/mol. Its IUPAC name is 4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID80830162
Molecular FormulaC12H17ClF3N5
Molecular Weight323.75 g/mol
Exact Mass323.11
IUPAC Name4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H17ClF3N5/c1-2-5-17-10-18-9(13)19-11(20-10)21-6-3-8(4-7-21)12(14,15)16/h8H,2-7H2,1H3,(H,17,18,19,20)
InChIKeyYUXWTLNSPFFSQM-UHFFFAOYSA-N
XLogP3.13
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine (CID 80830162) is 4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is YUXWTLNSPFFSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N5/c1-2-5-17-10-18-9(13)19-11(20-10)21-6-3-8(4-7-21)12(14,15)16/h8H,2-7H2,1H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 323.75 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80830162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).