3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline

C12H16N6O2 — CID 80908222

IUPAC3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline
SMILESCn1ccnc1CCNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H16N6O2/c1-17-8-7-15-11(17)5-6-14-9-3-2-4-10(16-13)12(9)18(19)20/h2-4,7-8,14,16H,5-6,13H2,1H3
InChIKeyWXWSXNBCILSOSK-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.27
Rot. Bonds6

About 3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline

3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline (PubChem CID 80908222) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline
PubChem CID80908222
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline
SMILESCn1ccnc1CCNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H16N6O2/c1-17-8-7-15-11(17)5-6-14-9-3-2-4-10(16-13)12(9)18(19)20/h2-4,7-8,14,16H,5-6,13H2,1H3
InChIKeyWXWSXNBCILSOSK-UHFFFAOYSA-N
XLogP1.27
TPSA111.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-amino-3-[2-(1-methylimidazol-2-yl)ethylamino]benzenesulfonamide
CID 115992604
N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine
CID 61211864
2-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]benzene-1,3-diamine
CID 63061895
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496
2-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-nitroaniline
CID 62084074
4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline
CID 61211671
6-N-methyl-4-N-[2-(1-methylimidazol-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 78955451
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline
CID 106424721
3-fluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-nitroaniline
CID 55200757
2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline
CID 80841883
3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline
CID 80899703

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline (CID 80908222) is 3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline is Cn1ccnc1CCNc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline?
The InChIKey is WXWSXNBCILSOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-17-8-7-15-11(17)5-6-14-9-3-2-4-10(16-13)12(9)18(19)20/h2-4,7-8,14,16H,5-6,13H2,1H3.
What are the key properties of 3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline?
3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline has a molecular weight of 276.30 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline is sourced from PubChem (CID 80908222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).