N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide

C10H9N5O4 — CID 107681208

IUPACN-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H9N5O4/c16-8-3-1-2-7(15(18)19)10(8)12-9(17)6-14-5-4-11-13-14/h1-5,16H,6H2,(H,12,17)
InChIKeyYEXIDPFKJSRKRR-UHFFFAOYSA-N
MW263.21 g/mol
LogP0.53
Rot. Bonds4

About N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide

N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide (PubChem CID 107681208) has the molecular formula C10H9N5O4 and a molecular weight of 263.21 g/mol. Its IUPAC name is N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide
PubChem CID107681208
Molecular FormulaC10H9N5O4
Molecular Weight263.21 g/mol
Exact Mass263.07
IUPAC NameN-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H9N5O4/c16-8-3-1-2-7(15(18)19)10(8)12-9(17)6-14-5-4-11-13-14/h1-5,16H,6H2,(H,12,17)
InChIKeyYEXIDPFKJSRKRR-UHFFFAOYSA-N
XLogP0.53
TPSA123.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 107681255
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
CID 107681392
2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
CID 107681048
N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide
CID 107681256
N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide
CID 107681464
N-(2-hydroxy-6-nitrophenyl)-3-methylpentanamide
CID 107681171
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107681385
N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
CID 107681442

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide (CID 107681208) is N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide?
The InChIKey is YEXIDPFKJSRKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4/c16-8-3-1-2-7(15(18)19)10(8)12-9(17)6-14-5-4-11-13-14/h1-5,16H,6H2,(H,12,17).
What are the key properties of N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide?
N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide has a molecular weight of 263.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 107681208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).