4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine

C11H10F3N7O — CID 154486285

IUPAC4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
SMILESNNc1nc(N)nc(N=Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H10F3N7O/c12-11(13,14)22-7-3-1-6(2-4-7)5-17-9-18-8(15)19-10(20-9)21-16/h1-5H,16H2,(H3,15,18,19,20,21)
InChIKeyZCPIIPRDGWPVCZ-UHFFFAOYSA-N
MW313.24 g/mol
LogP1.39
Rot. Bonds4

About 4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine

4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine (PubChem CID 154486285) has the molecular formula C11H10F3N7O and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
PubChem CID154486285
Molecular FormulaC11H10F3N7O
Molecular Weight313.24 g/mol
Exact Mass313.09
IUPAC Name4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
SMILESNNc1nc(N)nc(N=Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H10F3N7O/c12-11(13,14)22-7-3-1-6(2-4-7)5-17-9-18-8(15)19-10(20-9)21-16/h1-5H,16H2,(H3,15,18,19,20,21)
InChIKeyZCPIIPRDGWPVCZ-UHFFFAOYSA-N
XLogP1.39
TPSA124.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine (CID 154486285) is 4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine is NNc1nc(N)nc(N=Cc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The InChIKey is ZCPIIPRDGWPVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N7O/c12-11(13,14)22-7-3-1-6(2-4-7)5-17-9-18-8(15)19-10(20-9)21-16/h1-5H,16H2,(H3,15,18,19,20,21).
What are the key properties of 4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine has a molecular weight of 313.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine is sourced from PubChem (CID 154486285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).