1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine

C11H13N5O2 — CID 102512183

IUPAC1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine
SMILES[13CH3]Cn1ccnc1NNc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O2/c1-2-15-7-6-12-11(15)14-13-9-4-3-5-10(8-9)16(17)18/h3-8,13H,2H2,1H3,(H,12,14)/i1+1
InChIKeyQAFDKSBLEDIUIT-OUBTZVSYSA-N
MW248.25 g/mol
LogP2.25
Rot. Bonds5

About 1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine

1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine (PubChem CID 102512183) has the molecular formula C11H13N5O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine.

Molecular Properties

Compound Name1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine
PubChem CID102512183
Molecular FormulaC11H13N5O2
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine
SMILES[13CH3]Cn1ccnc1NNc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O2/c1-2-15-7-6-12-11(15)14-13-9-4-3-5-10(8-9)16(17)18/h3-8,13H,2H2,1H3,(H,12,14)/i1+1
InChIKeyQAFDKSBLEDIUIT-OUBTZVSYSA-N
XLogP2.25
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(1-(213C)ethylimidazol-2-yl)-2-phenylhydrazine
CID 102512179
1-(3-chloro-2-pyridinyl)-2-(3-nitrophenyl)hydrazine
CID 141429505
1-ethyl-2-nitroimidazole
CID 19802537
ethane;methanol;N-methyl-3-nitroaniline
CID 144908950
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896
1-N-(3-nitrophenyl)butane-1,2-diamine
CID 63730793
2-(2-methylimidazol-1-yl)-1-(3-nitrophenyl)ethanol
CID 75432602
3-nitro-N-(pyridin-2-ylmethyl)aniline
CID 43461683
CID 58015538
CID 58015538
1-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-3-(3-nitrophenyl)urea
CID 42962122
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 26816808
N-[(Z)-2-ethylbutylideneamino]-3-nitroaniline
CID 9077557

Frequently Asked Questions

What is the IUPAC name of 1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine?
The IUPAC name of 1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine (CID 102512183) is 1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine.
What is the SMILES notation for 1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine?
The canonical SMILES for 1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine is [13CH3]Cn1ccnc1NNc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine?
The InChIKey is QAFDKSBLEDIUIT-OUBTZVSYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-2-15-7-6-12-11(15)14-13-9-4-3-5-10(8-9)16(17)18/h3-8,13H,2H2,1H3,(H,12,14)/i1+1.
What are the key properties of 1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine?
1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine has a molecular weight of 248.25 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-(213C)ethylimidazol-2-yl)-2-(3-nitrophenyl)hydrazine is sourced from PubChem (CID 102512183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).