4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine

C11H12ClF3N6 — CID 115521625

IUPAC4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CCCCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H12ClF3N6/c12-8-18-9(16-5-2-1-4-11(13,14)15)20-10(19-8)21-7-3-6-17-21/h3,6-7H,1-2,4-5H2,(H,16,18,19,20)
InChIKeyZIXAXNGYHKGXRZ-UHFFFAOYSA-N
MW320.71 g/mol
LogP2.86
Rot. Bonds6

About 4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine

4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine (PubChem CID 115521625) has the molecular formula C11H12ClF3N6 and a molecular weight of 320.71 g/mol. Its IUPAC name is 4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine
PubChem CID115521625
Molecular FormulaC11H12ClF3N6
Molecular Weight320.71 g/mol
Exact Mass320.08
IUPAC Name4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CCCCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H12ClF3N6/c12-8-18-9(16-5-2-1-4-11(13,14)15)20-10(19-8)21-7-3-6-17-21/h3,6-7H,1-2,4-5H2,(H,16,18,19,20)
InChIKeyZIXAXNGYHKGXRZ-UHFFFAOYSA-N
XLogP2.86
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.71
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine (CID 115521625) is 4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine is FC(F)(F)CCCCNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine?
The InChIKey is ZIXAXNGYHKGXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N6/c12-8-18-9(16-5-2-1-4-11(13,14)15)20-10(19-8)21-7-3-6-17-21/h3,6-7H,1-2,4-5H2,(H,16,18,19,20).
What are the key properties of 4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine?
4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine has a molecular weight of 320.71 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrazol-1-yl-N-(5,5,5-trifluoropentyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 115521625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).