4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine

C12H10F3N5O — CID 174960188

IUPAC4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
SMILESCc1ncnc(NN=Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H10F3N5O/c1-8-16-7-17-11(19-8)20-18-6-9-2-4-10(5-3-9)21-12(13,14)15/h2-7H,1H3,(H,16,17,19,20)
InChIKeyQPIRPAULLNSOIN-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.52
Rot. Bonds4

About 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine

4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine (PubChem CID 174960188) has the molecular formula C12H10F3N5O and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
PubChem CID174960188
Molecular FormulaC12H10F3N5O
Molecular Weight297.24 g/mol
Exact Mass297.08
IUPAC Name4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
SMILESCc1ncnc(NN=Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H10F3N5O/c1-8-16-7-17-11(19-8)20-18-6-9-2-4-10(5-3-9)21-12(13,14)15/h2-7H,1H3,(H,16,17,19,20)
InChIKeyQPIRPAULLNSOIN-UHFFFAOYSA-N
XLogP2.52
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine (CID 174960188) is 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine is Cc1ncnc(NN=Cc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The InChIKey is QPIRPAULLNSOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O/c1-8-16-7-17-11(19-8)20-18-6-9-2-4-10(5-3-9)21-12(13,14)15/h2-7H,1H3,(H,16,17,19,20).
What are the key properties of 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine has a molecular weight of 297.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine is sourced from PubChem (CID 174960188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).