4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C8H11F3N6 — CID 112746487

IUPAC4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCNCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N6/c9-8(10,11)5-14-6(12)16-7(15-5)17-3-1-13-2-4-17/h13H,1-4H2,(H2,12,14,15,16)
InChIKeyKIVOQWCKPBARJR-UHFFFAOYSA-N
MW248.21 g/mol
LogP-0.12
Rot. Bonds1

About 4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 112746487) has the molecular formula C8H11F3N6 and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID112746487
Molecular FormulaC8H11F3N6
Molecular Weight248.21 g/mol
Exact Mass248.10
IUPAC Name4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCNCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N6/c9-8(10,11)5-14-6(12)16-7(15-5)17-3-1-13-2-4-17/h13H,1-4H2,(H2,12,14,15,16)
InChIKeyKIVOQWCKPBARJR-UHFFFAOYSA-N
XLogP-0.12
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
s-Triazine, 2-hydrazino-4-(4-methylpiperazin-1-yl)-6-trifluoromethyl-
CID 3041959
1,3,5-Triazin-2-amine, 4-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)-
CID 3041955
s-Triazine, 2-hydrazino-4-piperazinyl-6-(trifluoromethyl)-
CID 3041957
1,3,5-Triazin-2-amine, N,N-dimethyl-4-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)-
CID 3041964
1,3,5-Triazine-2,4-diamine, N-(3-(4-methyl-1-piperazinyl)propyl)-6-(trifluoromethyl)-
CID 3041967
1,3,5-Triazin-2-amine, N-ethyl-4-methyl-6-(trifluoromethyl)-
CID 3041968
N-(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 21303873
N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 21303875
2,4-Difluoro-6-piperazin-2-yl-1,3,5-triazine
CID 54463874
2,4-Difluoro-6-piperazin-1-yl-1,3,5-triazine
CID 57018382
6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 70467120

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 112746487) is 4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(N2CCNCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is KIVOQWCKPBARJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N6/c9-8(10,11)5-14-6(12)16-7(15-5)17-3-1-13-2-4-17/h13H,1-4H2,(H2,12,14,15,16).
What are the key properties of 4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 248.21 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 112746487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).