2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol

C8H14F2N6O2 — CID 107495412

IUPAC2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
SMILESCOc1nc(NN)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C8H14F2N6O2/c1-18-8-13-6(15-11)12-7(14-8)16(2-3-17)4-5(9)10/h5,17H,2-4,11H2,1H3,(H,12,13,14,15)
InChIKeyZIKAOKNLIXVWQN-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.77
Rot. Bonds7

About 2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol

2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 107495412) has the molecular formula C8H14F2N6O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID107495412
Molecular FormulaC8H14F2N6O2
Molecular Weight264.24 g/mol
Exact Mass264.11
IUPAC Name2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
SMILESCOc1nc(NN)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C8H14F2N6O2/c1-18-8-13-6(15-11)12-7(14-8)16(2-3-17)4-5(9)10/h5,17H,2-4,11H2,1H3,(H,12,13,14,15)
InChIKeyZIKAOKNLIXVWQN-UHFFFAOYSA-N
XLogP-0.77
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.77
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'}

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Related Compounds

2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
CID 80902590
2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol
CID 107495210
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80895688
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80899174
[4-(2,2-difluoroethoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 82010197
2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
CID 80904852
N-butyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80917120
1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 80923595
2-[(5-amino-6-methoxy-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478117
2-[2,2-difluoroethyl-(6-methoxy-2-pyridinyl)amino]ethanol
CID 107484208
N-(1-cyclopropylethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80907357
(2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80923491

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol (CID 107495412) is 2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol is COc1nc(NN)nc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is ZIKAOKNLIXVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N6O2/c1-18-8-13-6(15-11)12-7(14-8)16(2-3-17)4-5(9)10/h5,17H,2-4,11H2,1H3,(H,12,13,14,15).
What are the key properties of 2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 264.24 g/mol, XLogP of -0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 107495412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).