[2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine

C12H15N5O2 — CID 62244833

IUPAC[2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine
SMILESCCc1nccn1Cc1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C12H15N5O2/c1-2-12-14-5-6-16(12)8-9-7-10(17(18)19)3-4-11(9)15-13/h3-7,15H,2,8,13H2,1H3
InChIKeyIJZQAZNEGXDHBD-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.69
Rot. Bonds5

About [2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine

[2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine (PubChem CID 62244833) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is [2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine
PubChem CID62244833
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name[2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine
SMILESCCc1nccn1Cc1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C12H15N5O2/c1-2-12-14-5-6-16(12)8-9-7-10(17(18)19)3-4-11(9)15-13/h3-7,15H,2,8,13H2,1H3
InChIKeyIJZQAZNEGXDHBD-UHFFFAOYSA-N
XLogP1.69
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-methyl-2-[(2-methylimidazol-1-yl)methyl]-4-nitroaniline
CID 62208317
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 80580461
[2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 62244286
[2-(azepan-1-ylmethyl)-4-nitrophenyl]hydrazine
CID 62244610
2-[(2-ethylimidazol-1-yl)methyl]-N-methyl-6-nitroaniline
CID 107351853
[4-nitro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 103502418
[1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol
CID 166178500
3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63770628
[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 83221769
2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide
CID 63293487
[4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine
CID 55050904
2-(2-ethylimidazol-1-yl)-5-nitroaniline
CID 55080396

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine?
The IUPAC name of [2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine (CID 62244833) is [2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine is CCc1nccn1Cc1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of [2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine?
The InChIKey is IJZQAZNEGXDHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-12-14-5-6-16(12)8-9-7-10(17(18)19)3-4-11(9)15-13/h3-7,15H,2,8,13H2,1H3.
What are the key properties of [2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine?
[2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine has a molecular weight of 261.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine is sourced from PubChem (CID 62244833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).