4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine

C9H12ClF3N6 — CID 80824037

IUPAC4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C9H12ClF3N6/c10-6-15-7(14)17-8(16-6)19-3-1-18(2-4-19)5-9(11,12)13/h1-5H2,(H2,14,15,16,17)
InChIKeyMFMLOOYUZPPZKA-UHFFFAOYSA-N
MW296.68 g/mol
LogP0.79
Rot. Bonds2

About 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine

4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80824037) has the molecular formula C9H12ClF3N6 and a molecular weight of 296.68 g/mol. Its IUPAC name is 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID80824037
Molecular FormulaC9H12ClF3N6
Molecular Weight296.68 g/mol
Exact Mass296.08
IUPAC Name4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C9H12ClF3N6/c10-6-15-7(14)17-8(16-6)19-3-1-18(2-4-19)5-9(11,12)13/h1-5H2,(H2,14,15,16,17)
InChIKeyMFMLOOYUZPPZKA-UHFFFAOYSA-N
XLogP0.79
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazin-2-amine, 4-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)-
CID 3041955
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 20453895
2,4-Difluoro-6-piperazin-1-yl-1,3,5-triazine
CID 57018382
2-Chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine
CID 177317905
4-Chloro-6-(piperazin-1-yl)-1,3,5-triazin-2-amine
CID 80837656
2,4-Dichloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine
CID 55141169
6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 62864833
4-chloro-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62869894
6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 62869896
2-Chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine
CID 62970401
4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 62970573
4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 80807541

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine (CID 80824037) is 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is MFMLOOYUZPPZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N6/c10-6-15-7(14)17-8(16-6)19-3-1-18(2-4-19)5-9(11,12)13/h1-5H2,(H2,14,15,16,17).
What are the key properties of 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 296.68 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80824037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).