N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide

C14H19N5O2 — CID 66269230

IUPACN-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
SMILESCCNC(=O)c1cccc(NCc2cn(CCO)nn2)c1
InChIInChI=1S/C14H19N5O2/c1-2-15-14(21)11-4-3-5-12(8-11)16-9-13-10-19(6-7-20)18-17-13/h3-5,8,10,16,20H,2,6-7,9H2,1H3,(H,15,21)
InChIKeyHLGBTAILFXXLDI-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.63
Rot. Bonds7

About N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide

N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide (PubChem CID 66269230) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
PubChem CID66269230
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
SMILESCCNC(=O)c1cccc(NCc2cn(CCO)nn2)c1
InChIInChI=1S/C14H19N5O2/c1-2-15-14(21)11-4-3-5-12(8-11)16-9-13-10-19(6-7-20)18-17-13/h3-5,8,10,16,20H,2,6-7,9H2,1H3,(H,15,21)
InChIKeyHLGBTAILFXXLDI-UHFFFAOYSA-N
XLogP0.63
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66270751
2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol
CID 66268122
N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757928
2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269771
3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757929
N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757413
2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol
CID 66269059
N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62760777
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
CID 107701075
3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270046
2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66268282
N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
The IUPAC name of N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide (CID 66269230) is N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide.
What is the SMILES notation for N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
The canonical SMILES for N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide is CCNC(=O)c1cccc(NCc2cn(CCO)nn2)c1.
What is the InChIKey of N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
The InChIKey is HLGBTAILFXXLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-15-14(21)11-4-3-5-12(8-11)16-9-13-10-19(6-7-20)18-17-13/h3-5,8,10,16,20H,2,6-7,9H2,1H3,(H,15,21).
What are the key properties of N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide has a molecular weight of 289.34 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide is sourced from PubChem (CID 66269230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).