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

C9H13F3N6 — CID 3041955

IUPAC4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C9H13F3N6/c1-17-2-4-18(5-3-17)8-15-6(9(10,11)12)14-7(13)16-8/h2-5H2,1H3,(H2,13,14,15,16)
InChIKeyMISRSLPWBGIAIF-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.22
Rot. Bonds1

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

4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 3041955) has the molecular formula C9H13F3N6 and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID3041955
Molecular FormulaC9H13F3N6
Molecular Weight262.24 g/mol
Exact Mass262.12
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C9H13F3N6/c1-17-2-4-18(5-3-17)8-15-6(9(10,11)12)14-7(13)16-8/h2-5H2,1H3,(H2,13,14,15,16)
InChIKeyMISRSLPWBGIAIF-UHFFFAOYSA-N
XLogP0.22
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868172
4-Methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868018
s-Triazine, 2-hydrazino-4-(4-methylpiperazin-1-yl)-6-trifluoromethyl-
CID 3041959
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
2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 139724197
2-N,2-N,4-N-triethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 159922363
4-(4,4-Difluoropiperidin-1-yl)-6-methyl-1,3,5-triazin-2-amine
CID 171825010
4-N,4-N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
CID 80807543
4-Chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 80824037
2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746483

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 3041955) is 4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is MISRSLPWBGIAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N6/c1-17-2-4-18(5-3-17)8-15-6(9(10,11)12)14-7(13)16-8/h2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 262.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3041955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).