2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide

C12H14FN5O2 — CID 66268282

IUPAC2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
SMILESNC(=O)c1cc(NCc2cn(CCO)nn2)ccc1F
InChIInChI=1S/C12H14FN5O2/c13-11-2-1-8(5-10(11)12(14)20)15-6-9-7-18(3-4-19)17-16-9/h1-2,5,7,15,19H,3-4,6H2,(H2,14,20)
InChIKeyFUASRXGMIKXLME-UHFFFAOYSA-N
MW279.28 g/mol
LogP0.12
Rot. Bonds6

About 2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide

2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide (PubChem CID 66268282) has the molecular formula C12H14FN5O2 and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
PubChem CID66268282
Molecular FormulaC12H14FN5O2
Molecular Weight279.28 g/mol
Exact Mass279.11
IUPAC Name2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
SMILESNC(=O)c1cc(NCc2cn(CCO)nn2)ccc1F
InChIInChI=1S/C12H14FN5O2/c13-11-2-1-8(5-10(11)12(14)20)15-6-9-7-18(3-4-19)17-16-9/h1-2,5,7,15,19H,3-4,6H2,(H2,14,20)
InChIKeyFUASRXGMIKXLME-UHFFFAOYSA-N
XLogP0.12
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66270955
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66269403
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
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]isoindole-1,3-dione
CID 66270351
2-[4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269599
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
3-[4-[(4-chloro-2-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270446
2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269771
3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270055
N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66270751

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
The IUPAC name of 2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide (CID 66268282) is 2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide is NC(=O)c1cc(NCc2cn(CCO)nn2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
The InChIKey is FUASRXGMIKXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c13-11-2-1-8(5-10(11)12(14)20)15-6-9-7-18(3-4-19)17-16-9/h1-2,5,7,15,19H,3-4,6H2,(H2,14,20).
What are the key properties of 2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide has a molecular weight of 279.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide is sourced from PubChem (CID 66268282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).