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

C8H9F4N9 — CID 106294487

IUPAC4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCC(F)(F)C(F)F)nc(-n2cncn2)n1
InChIInChI=1S/C8H9F4N9/c9-4(10)8(11,12)1-15-5-17-6(20-13)19-7(18-5)21-3-14-2-16-21/h2-4H,1,13H2,(H2,15,17,18,19,20)
InChIKeyVUHOPDRZXSHGBY-UHFFFAOYSA-N
MW307.22 g/mol
LogP0.05
Rot. Bonds6

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

4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 106294487) has the molecular formula C8H9F4N9 and a molecular weight of 307.22 g/mol. Its IUPAC name is 4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID106294487
Molecular FormulaC8H9F4N9
Molecular Weight307.22 g/mol
Exact Mass307.09
IUPAC Name4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCC(F)(F)C(F)F)nc(-n2cncn2)n1
InChIInChI=1S/C8H9F4N9/c9-4(10)8(11,12)1-15-5-17-6(20-13)19-7(18-5)21-3-14-2-16-21/h2-4H,1,13H2,(H2,15,17,18,19,20)
InChIKeyVUHOPDRZXSHGBY-UHFFFAOYSA-N
XLogP0.05
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 50.05
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 106294487) is 4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is NNc1nc(NCC(F)(F)C(F)F)nc(-n2cncn2)n1.
What is the InChIKey of 4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is VUHOPDRZXSHGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N9/c9-4(10)8(11,12)1-15-5-17-6(20-13)19-7(18-5)21-3-14-2-16-21/h2-4H,1,13H2,(H2,15,17,18,19,20).
What are the key properties of 4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 307.22 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106294487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).