4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

C8H10F3N9 — CID 80914409

IUPAC4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCCC(F)(F)F)nc(-n2cncn2)n1
InChIInChI=1S/C8H10F3N9/c9-8(10,11)1-2-14-5-16-6(19-12)18-7(17-5)20-4-13-3-15-20/h3-4H,1-2,12H2,(H2,14,16,17,18,19)
InChIKeyLJBKZEBOSOKHDX-UHFFFAOYSA-N
MW289.23 g/mol
LogP0.10
Rot. Bonds5

About 4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 80914409) has the molecular formula C8H10F3N9 and a molecular weight of 289.23 g/mol. Its IUPAC name is 4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID80914409
Molecular FormulaC8H10F3N9
Molecular Weight289.23 g/mol
Exact Mass289.10
IUPAC Name4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCCC(F)(F)F)nc(-n2cncn2)n1
InChIInChI=1S/C8H10F3N9/c9-8(10,11)1-2-14-5-16-6(19-12)18-7(17-5)20-4-13-3-15-20/h3-4H,1-2,12H2,(H2,14,16,17,18,19)
InChIKeyLJBKZEBOSOKHDX-UHFFFAOYSA-N
XLogP0.10
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 80914409) is 4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is NNc1nc(NCCC(F)(F)F)nc(-n2cncn2)n1.
What is the InChIKey of 4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is LJBKZEBOSOKHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N9/c9-8(10,11)1-2-14-5-16-6(19-12)18-7(17-5)20-4-13-3-15-20/h3-4H,1-2,12H2,(H2,14,16,17,18,19).
What are the key properties of 4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 289.23 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80914409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).