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

C14H19N5O2 — CID 66270751

IUPACN-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCc2cn(CCO)nn2)cc1
InChIInChI=1S/C14H19N5O2/c1-2-15-14(21)11-3-5-12(6-4-11)16-9-13-10-19(7-8-20)18-17-13/h3-6,10,16,20H,2,7-9H2,1H3,(H,15,21)
InChIKeyUNJWCQJKMYYLHD-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.63
Rot. Bonds7

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

N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide (PubChem CID 66270751) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
PubChem CID66270751
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCc2cn(CCO)nn2)cc1
InChIInChI=1S/C14H19N5O2/c1-2-15-14(21)11-3-5-12(6-4-11)16-9-13-10-19(7-8-20)18-17-13/h3-6,10,16,20H,2,7-9H2,1H3,(H,15,21)
InChIKeyUNJWCQJKMYYLHD-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-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66269230
N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757413
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol
CID 66270190
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzonitrile
CID 66268640
3-[4-[(4-tert-butylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66269664
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
CID 107701075
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]isoindole-1,3-dione
CID 66270351
2-[4-[(4-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457897
N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757049
2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66268282
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
The IUPAC name of N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide (CID 66270751) is N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide.
What is the SMILES notation for N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
The canonical SMILES for N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide is CCNC(=O)c1ccc(NCc2cn(CCO)nn2)cc1.
What is the InChIKey of N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
The InChIKey is UNJWCQJKMYYLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-15-14(21)11-3-5-12(6-4-11)16-9-13-10-19(7-8-20)18-17-13/h3-6,10,16,20H,2,7-9H2,1H3,(H,15,21).
What are the key properties of N-ethyl-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide?
N-ethyl-4-[[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-4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide is sourced from PubChem (CID 66270751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).