4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

C11H15F3N4 — CID 79964697

IUPAC4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CCC(F)(F)F)nc(C2CCCC2)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)6-5-8-16-9(18-10(15)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,17,18)
InChIKeyIPCZQTCJWAXLDW-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.61
Rot. Bonds3

About 4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 79964697) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID79964697
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CCC(F)(F)F)nc(C2CCCC2)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)6-5-8-16-9(18-10(15)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,17,18)
InChIKeyIPCZQTCJWAXLDW-UHFFFAOYSA-N
XLogP2.61
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Cyclohexyl-1,3,5-triazine-2,4-diamine
CID 91411
6-(3,3,4,4,5,5,5-Heptafluoropentyl)-1,3,5-triazine-2,4-diamine
CID 14512646
6-(4,4,5,5,5-Pentafluoropentyl)-1,3,5-triazine-2,4-diamine
CID 14512658
6-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine
CID 14512663
6-(4,4-Difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112681579
6-(3,3-Difluorocyclobutyl)-1,3,5-triazine-2,4-diamine
CID 127004945
6-(1-Fluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 135367721
6-[4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine
CID 139685065
6-(2,2-Difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 151228038
6-[[1-(Trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156220317
6-[[1-(Trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156220346
6-[[1-(Trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156220358

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 79964697) is 4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is Nc1nc(CCC(F)(F)F)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is IPCZQTCJWAXLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)6-5-8-16-9(18-10(15)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,17,18).
What are the key properties of 4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 260.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79964697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).