N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C12H11F3N4 — CID 15857810

IUPACN-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(NCc2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4/c1-8-17-10(12(13,14)15)19-11(18-8)16-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17,18,19)
InChIKeyCIHFTSMKZGYLCG-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.81
Rot. Bonds3

About N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 15857810) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID15857810
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC NameN-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(NCc2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4/c1-8-17-10(12(13,14)15)19-11(18-8)16-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17,18,19)
InChIKeyCIHFTSMKZGYLCG-UHFFFAOYSA-N
XLogP2.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 7064
CID 7064
CID 150777
CID 150777
CID 11390103
CID 11390103
CID 12852432
CID 12852432
CID 767984
CID 767984
CID 200798
CID 200798
CID 29542
CID 29542
CID 2782201
CID 2782201
CID 1248583
CID 1248583
CID 15857809
CID 15857809
CID 90645146
CID 90645146
CID 134139713
CID 134139713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 15857810) is N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Cc1nc(NCc2ccccc2)nc(C(F)(F)F)n1.
What is the InChIKey of N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is CIHFTSMKZGYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-8-17-10(12(13,14)15)19-11(18-8)16-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17,18,19).
What are the key properties of N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 268.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 15857810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).