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

C6H9F3N6O — CID 80943261

IUPAC4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCC(F)(F)F)n1
InChIInChI=1S/C6H9F3N6O/c1-16-5-13-3(11-2-6(7,8)9)12-4(14-5)15-10/h2,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyCZROJVRKGBYINK-UHFFFAOYSA-N
MW238.17 g/mol
LogP0.14
Rot. Bonds4

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

4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 80943261) has the molecular formula C6H9F3N6O and a molecular weight of 238.17 g/mol. Its IUPAC name is 4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID80943261
Molecular FormulaC6H9F3N6O
Molecular Weight238.17 g/mol
Exact Mass238.08
IUPAC Name4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCC(F)(F)F)n1
InChIInChI=1S/C6H9F3N6O/c1-16-5-13-3(11-2-6(7,8)9)12-4(14-5)15-10/h2,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyCZROJVRKGBYINK-UHFFFAOYSA-N
XLogP0.14
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80944783
1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249098
[4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82794676
4-hydrazinyl-6-methoxy-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80920216
6-methoxy-2-N-(2-methoxy-2-methylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 104767298
4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 115354935
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
4-ethoxy-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294470
4-ethoxy-6-hydrazinyl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80913771
N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384320
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
6-methoxy-4-N-methyl-2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113479536

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 80943261) is 4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is COc1nc(NN)nc(NCC(F)(F)F)n1.
What is the InChIKey of 4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is CZROJVRKGBYINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N6O/c1-16-5-13-3(11-2-6(7,8)9)12-4(14-5)15-10/h2,10H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 238.17 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80943261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).