2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C11H13N5O2 — CID 114167823

IUPAC2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(O)ccc1N)c1ncn[nH]1
InChIInChI=1S/C11H13N5O2/c1-6(10-13-5-14-16-10)15-11(18)8-4-7(17)2-3-9(8)12/h2-6,17H,12H2,1H3,(H,15,18)(H,13,14,16)
InChIKeyILDTXSKXIZLBCR-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.58
Rot. Bonds3

About 2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 114167823) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID114167823
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(O)ccc1N)c1ncn[nH]1
InChIInChI=1S/C11H13N5O2/c1-6(10-13-5-14-16-10)15-11(18)8-4-7(17)2-3-9(8)12/h2-6,17H,12H2,1H3,(H,15,18)(H,13,14,16)
InChIKeyILDTXSKXIZLBCR-UHFFFAOYSA-N
XLogP0.58
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104878265
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
2-amino-5-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114194097
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
2-methyl-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716363
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 106281052
5-amino-2-fluoro-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281069
2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 131921480
5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide
CID 106281055
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 113246898

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 114167823) is 2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is CC(NC(=O)c1cc(O)ccc1N)c1ncn[nH]1.
What is the InChIKey of 2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is ILDTXSKXIZLBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6(10-13-5-14-16-10)15-11(18)8-4-7(17)2-3-9(8)12/h2-6,17H,12H2,1H3,(H,15,18)(H,13,14,16).
What are the key properties of 2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 247.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 114167823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).