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

C9H15F3N6O — CID 80899333

IUPAC4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C9H15F3N6O/c1-3-4-19-8-15-6(17-13)14-7(16-8)18(2)5-9(10,11)12/h3-5,13H2,1-2H3,(H,14,15,16,17)
InChIKeyRBCACAVXCTVYAZ-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.94
Rot. Bonds6

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

4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 80899333) has the molecular formula C9H15F3N6O and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID80899333
Molecular FormulaC9H15F3N6O
Molecular Weight280.25 g/mol
Exact Mass280.13
IUPAC Name4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C9H15F3N6O/c1-3-4-19-8-15-6(17-13)14-7(16-8)18(2)5-9(10,11)12/h3-5,13H2,1-2H3,(H,14,15,16,17)
InChIKeyRBCACAVXCTVYAZ-UHFFFAOYSA-N
XLogP0.94
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
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-N-methyl-6-propoxy-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80924992
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-methylamino]pentan-1-ol
CID 107207610
4-hydrazinyl-N-methyl-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 80898353
N,N-diethyl-4-hydrazinyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80910058
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
4-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 115988847
[4-propoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80923867
2-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80779284
1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 80923595
2-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80845422
4-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80900563

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 80899333) is 4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(N(C)CC(F)(F)F)n1.
What is the InChIKey of 4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is RBCACAVXCTVYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N6O/c1-3-4-19-8-15-6(17-13)14-7(16-8)18(2)5-9(10,11)12/h3-5,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 280.25 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80899333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).