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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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).