3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline

C12H16N6O2 — CID 80896955

IUPAC3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline
SMILESCC(Cn1ccnc1)Nc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H16N6O2/c1-9(7-17-6-5-14-8-17)15-10-3-2-4-11(16-13)12(10)18(19)20/h2-6,8-9,15-16H,7,13H2,1H3
InChIKeyUIUOGQSKHYWRIF-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.58
Rot. Bonds6

About 3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline

3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline (PubChem CID 80896955) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline
PubChem CID80896955
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline
SMILESCC(Cn1ccnc1)Nc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H16N6O2/c1-9(7-17-6-5-14-8-17)15-10-3-2-4-11(16-13)12(10)18(19)20/h2-6,8-9,15-16H,7,13H2,1H3
InChIKeyUIUOGQSKHYWRIF-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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

N-(1-imidazol-1-ylpropan-2-yl)-3-nitropyridin-4-amine
CID 54958624
N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-4-nitroaniline
CID 61482429
3-chloro-2-nitro-N-(1-pyrazol-1-ylpropan-2-yl)aniline
CID 104835805
3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
CID 80897164
3-N-(3-hydrazinyl-2-nitrophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904449
(3-imidazol-1-yl-2-nitrophenyl)hydrazine
CID 80901312
6-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)-5-nitropyrimidine-4,6-diamine
CID 80782851
3-N-(2-imidazol-1-ylethyl)-2-nitrobenzene-1,3-diamine
CID 80804235
1-N-ethyl-3-N-(3-imidazol-1-ylpropyl)-2-nitrobenzene-1,3-diamine
CID 80757386
5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline
CID 66100831
2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 61482270
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline (CID 80896955) is 3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline is CC(Cn1ccnc1)Nc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline?
The InChIKey is UIUOGQSKHYWRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-9(7-17-6-5-14-8-17)15-10-3-2-4-11(16-13)12(10)18(19)20/h2-6,8-9,15-16H,7,13H2,1H3.
What are the key properties of 3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline?
3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline has a molecular weight of 276.30 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline is sourced from PubChem (CID 80896955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).