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

C10H15F3N4 — CID 100966797

IUPAC4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-3-4-5-6-14-9-16-7(2)15-8(17-9)10(11,12)13/h3-6H2,1-2H3,(H,14,15,16,17)
InChIKeyRNCOJVFOELWTNA-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.80
Rot. Bonds5

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

4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 100966797) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID100966797
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-3-4-5-6-14-9-16-7(2)15-8(17-9)10(11,12)13/h3-6H2,1-2H3,(H,14,15,16,17)
InChIKeyRNCOJVFOELWTNA-UHFFFAOYSA-N
XLogP2.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
s-Triazine, 2-amino-4-cyclohexylamino-6-trifluoromethyl-
CID 120801
4-methyl-N-pentyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 32663
s-Triazine, 2-methyl-4-methylamino-6-(trifluoromethyl)-
CID 3041947
s-Triazine, 2-dimethylamino-4-isopropylamino-6-(trifluoromethyl)-
CID 3041954
s-Triazine, 2-isopropylamino-4-methylamino-6-trifluoromethyl-
CID 3041963
N~2~-(Butan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 3041965
1,3,5-Triazin-2-amine, N-ethyl-4-methyl-6-(trifluoromethyl)-
CID 3041968
1,3,5-Triazin-2-amine, N-cyclohexyl-4-methyl-6-(trifluoromethyl)-
CID 3041969
s-Triazine, 2-amino-4-isopropylamino-6-trifluoromethyl-
CID 3041987
2-Difluoromethyl-4-amino-6-ethylamino-s-triazine
CID 129787532
6-methyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 33379

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 100966797) is 4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is CCCCCNc1nc(C)nc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is RNCOJVFOELWTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-3-4-5-6-14-9-16-7(2)15-8(17-9)10(11,12)13/h3-6H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 248.25 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 100966797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).