4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C8H9F3N8 — CID 80943000

IUPAC4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCC(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C8H9F3N8/c9-8(10,11)3-14-5-15-6(18-12)17-7(16-5)19-2-1-13-4-19/h1-2,4H,3,12H2,(H2,14,15,16,17,18)
InChIKeyARTMHTOOYBSVAZ-UHFFFAOYSA-N
MW274.21 g/mol
LogP0.32
Rot. Bonds4

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

4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 80943000) has the molecular formula C8H9F3N8 and a molecular weight of 274.21 g/mol. Its IUPAC name is 4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID80943000
Molecular FormulaC8H9F3N8
Molecular Weight274.21 g/mol
Exact Mass274.09
IUPAC Name4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NCC(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C8H9F3N8/c9-8(10,11)3-14-5-15-6(18-12)17-7(16-5)19-2-1-13-4-19/h1-2,4H,3,12H2,(H2,14,15,16,17,18)
InChIKeyARTMHTOOYBSVAZ-UHFFFAOYSA-N
XLogP0.32
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
CID 80914978
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294518
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289
4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80914496
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
4-hydrazinyl-6-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80902986
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80898376
4-hydrazinyl-6-imidazol-1-yl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazin-2-amine
CID 80906593
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80900930

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 80943000) is 4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is NNc1nc(NCC(F)(F)F)nc(-n2ccnc2)n1.
What is the InChIKey of 4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is ARTMHTOOYBSVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N8/c9-8(10,11)3-14-5-15-6(18-12)17-7(16-5)19-2-1-13-4-19/h1-2,4H,3,12H2,(H2,14,15,16,17,18).
What are the key properties of 4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 274.21 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80943000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).