4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine

C11H18F3N7 — CID 80925537

IUPAC4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H18F3N7/c1-20(2)9-16-8(19-15)17-10(18-9)21-5-3-7(4-6-21)11(12,13)14/h7H,3-6,15H2,1-2H3,(H,16,17,18,19)
InChIKeyQEQOLWVFJVATMV-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.00
Rot. Bonds3

About 4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine

4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80925537) has the molecular formula C11H18F3N7 and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID80925537
Molecular FormulaC11H18F3N7
Molecular Weight305.31 g/mol
Exact Mass305.16
IUPAC Name4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H18F3N7/c1-20(2)9-16-8(19-15)17-10(18-9)21-5-3-7(4-6-21)11(12,13)14/h7H,3-6,15H2,1-2H3,(H,16,17,18,19)
InChIKeyQEQOLWVFJVATMV-UHFFFAOYSA-N
XLogP1.00
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine (CID 80925537) is 4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine is CN(C)c1nc(NN)nc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is QEQOLWVFJVATMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N7/c1-20(2)9-16-8(19-15)17-10(18-9)21-5-3-7(4-6-21)11(12,13)14/h7H,3-6,15H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine?
4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 305.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N,N-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80925537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).