2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C11H13F3N4O — CID 107491314

IUPAC2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1cc2cn[nH]c2cc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)6-18(1-2-19)10-4-9-7(3-8(10)15)5-16-17-9/h3-5,19H,1-2,6,15H2,(H,16,17)
InChIKeyZZEDIABOJMDVCB-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.51
Rot. Bonds4

About 2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107491314) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107491314
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1cc2cn[nH]c2cc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)6-18(1-2-19)10-4-9-7(3-8(10)15)5-16-17-9/h3-5,19H,1-2,6,15H2,(H,16,17)
InChIKeyZZEDIABOJMDVCB-UHFFFAOYSA-N
XLogP1.51
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107491312
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860
6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine
CID 107489047
4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 107478271
2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478362
2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478310
2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 114988960
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365
6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine
CID 107489655
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107491314) is 2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol is Nc1cc2cn[nH]c2cc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ZZEDIABOJMDVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)6-18(1-2-19)10-4-9-7(3-8(10)15)5-16-17-9/h3-5,19H,1-2,6,15H2,(H,16,17).
What are the key properties of 2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 274.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107491314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).