2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol

C11H13FN4O — CID 66268072

IUPAC2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccc(F)cc2)nn1
InChIInChI=1S/C11H13FN4O/c12-9-1-3-10(4-2-9)13-7-11-8-16(5-6-17)15-14-11/h1-4,8,13,17H,5-7H2
InChIKeyOUQUYXXVCGIJRN-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.02
Rot. Bonds5

About 2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol

2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol (PubChem CID 66268072) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
PubChem CID66268072
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccc(F)cc2)nn1
InChIInChI=1S/C11H13FN4O/c12-9-1-3-10(4-2-9)13-7-11-8-16(5-6-17)15-14-11/h1-4,8,13,17H,5-7H2
InChIKeyOUQUYXXVCGIJRN-UHFFFAOYSA-N
XLogP1.02
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66269403
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzonitrile
CID 66268640
2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol
CID 66270190
2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66270955
2-[4-[(2,3,4,5,6-pentafluoroanilino)methyl]triazol-1-yl]ethanol
CID 115564130
2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66268282
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
CID 107701075
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 66270727
2-[4-[[4-(1,3-oxazol-5-yl)anilino]methyl]triazol-1-yl]ethanol
CID 66268867
N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66270751
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]isoindole-1,3-dione
CID 66270351
3-[4-[(4-tert-butylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66269664

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol (CID 66268072) is 2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol is OCCn1cc(CNc2ccc(F)cc2)nn1.
What is the InChIKey of 2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol?
The InChIKey is OUQUYXXVCGIJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c12-9-1-3-10(4-2-9)13-7-11-8-16(5-6-17)15-14-11/h1-4,8,13,17H,5-7H2.
What are the key properties of 2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol?
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol has a molecular weight of 236.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).