4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine

C9H8F4N6O — CID 80867876

IUPAC4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCC(F)(F)C(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C9H8F4N6O/c10-5(11)9(12,13)3-20-8-17-6(14)16-7(18-8)19-2-1-15-4-19/h1-2,4-5H,3H2,(H2,14,16,17,18)
InChIKeyOWWVYGNHANTZBE-UHFFFAOYSA-N
MW292.20 g/mol
LogP0.92
Rot. Bonds5

About 4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 80867876) has the molecular formula C9H8F4N6O and a molecular weight of 292.20 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID80867876
Molecular FormulaC9H8F4N6O
Molecular Weight292.20 g/mol
Exact Mass292.07
IUPAC Name4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCC(F)(F)C(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C9H8F4N6O/c10-5(11)9(12,13)3-20-8-17-6(14)16-7(18-8)19-2-1-15-4-19/h1-2,4-5H,3H2,(H2,14,16,17,18)
InChIKeyOWWVYGNHANTZBE-UHFFFAOYSA-N
XLogP0.92
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80883414
2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 62870806
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
4-imidazol-1-yl-6-(2-piperidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 80879177
4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176493
4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine
CID 80873031
4-imidazol-1-yl-6-[(1-methylpiperidin-2-yl)methoxy]-1,3,5-triazin-2-amine
CID 80863288
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
CID 80925355
4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 81314424
4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80862731
4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80886477
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (CID 80867876) is 4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is Nc1nc(OCC(F)(F)C(F)F)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is OWWVYGNHANTZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N6O/c10-5(11)9(12,13)3-20-8-17-6(14)16-7(18-8)19-2-1-15-4-19/h1-2,4-5H,3H2,(H2,14,16,17,18).
What are the key properties of 4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 292.20 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80867876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).