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

C11H14F2N4O — CID 107491312

IUPAC2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESNc1cc2cn[nH]c2cc1N(CCO)CC(F)F
InChIInChI=1S/C11H14F2N4O/c12-11(13)6-17(1-2-18)10-4-9-7(3-8(10)14)5-15-16-9/h3-5,11,18H,1-2,6,14H2,(H,15,16)
InChIKeyNYTNKWDVLMKEEP-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.21
Rot. Bonds5

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

2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107491312) has the molecular formula C11H14F2N4O and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107491312
Molecular FormulaC11H14F2N4O
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESNc1cc2cn[nH]c2cc1N(CCO)CC(F)F
InChIInChI=1S/C11H14F2N4O/c12-11(13)6-17(1-2-18)10-4-9-7(3-8(10)14)5-15-16-9/h3-5,11,18H,1-2,6,14H2,(H,15,16)
InChIKeyNYTNKWDVLMKEEP-UHFFFAOYSA-N
XLogP1.21
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.21
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)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107491314
6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine
CID 107489047
6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine
CID 107490850
6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine
CID 107489655
2-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carboxamide
CID 114195454
6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine
CID 107489686
2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol
CID 107478099
2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 114988960
2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol
CID 107495227
3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
CID 114176711
2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478248
2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484125

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107491312) is 2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol is Nc1cc2cn[nH]c2cc1N(CCO)CC(F)F.
What is the InChIKey of 2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is NYTNKWDVLMKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O/c12-11(13)6-17(1-2-18)10-4-9-7(3-8(10)14)5-15-16-9/h3-5,11,18H,1-2,6,14H2,(H,15,16).
What are the key properties of 2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 256.26 g/mol, XLogP of 1.21, 5 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-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107491312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).