3-hydrazinyl-5-nitro-N-propan-2-ylaniline

C9H14N4O2 — CID 80932452

IUPAC3-hydrazinyl-5-nitro-N-propan-2-ylaniline
SMILESCC(C)Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H14N4O2/c1-6(2)11-7-3-8(12-10)5-9(4-7)13(14)15/h3-6,11-12H,10H2,1-2H3
InChIKeyXWLKPKBNAMDINC-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.70
Rot. Bonds4

About 3-hydrazinyl-5-nitro-N-propan-2-ylaniline

3-hydrazinyl-5-nitro-N-propan-2-ylaniline (PubChem CID 80932452) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-hydrazinyl-5-nitro-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-hydrazinyl-5-nitro-N-propan-2-ylaniline
PubChem CID80932452
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-hydrazinyl-5-nitro-N-propan-2-ylaniline
SMILESCC(C)Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H14N4O2/c1-6(2)11-7-3-8(12-10)5-9(4-7)13(14)15/h3-6,11-12H,10H2,1-2H3
InChIKeyXWLKPKBNAMDINC-UHFFFAOYSA-N
XLogP1.70
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 3-hydrazinyl-5-nitro-N-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline
CID 80897006
3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 80907046
2-(3-hydrazinyl-5-nitroanilino)-N-propylpropanamide
CID 80897022
N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline
CID 80915908
3-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-nitroaniline
CID 80908192
1-N-methyl-3-N-(3-methylbutan-2-yl)-5-nitrobenzene-1,3-diamine
CID 80753774
N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80894806
(3-butan-2-ylsulfanyl-5-nitrophenyl)hydrazine
CID 80924770
N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
(3-nitro-5-pentan-2-yloxyphenyl)hydrazine
CID 102989748
3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 80905083
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-5-nitro-N-propan-2-ylaniline?
The IUPAC name of 3-hydrazinyl-5-nitro-N-propan-2-ylaniline (CID 80932452) is 3-hydrazinyl-5-nitro-N-propan-2-ylaniline.
What is the SMILES notation for 3-hydrazinyl-5-nitro-N-propan-2-ylaniline?
The canonical SMILES for 3-hydrazinyl-5-nitro-N-propan-2-ylaniline is CC(C)Nc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydrazinyl-5-nitro-N-propan-2-ylaniline?
The InChIKey is XWLKPKBNAMDINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(2)11-7-3-8(12-10)5-9(4-7)13(14)15/h3-6,11-12H,10H2,1-2H3.
What are the key properties of 3-hydrazinyl-5-nitro-N-propan-2-ylaniline?
3-hydrazinyl-5-nitro-N-propan-2-ylaniline has a molecular weight of 210.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-5-nitro-N-propan-2-ylaniline is sourced from PubChem (CID 80932452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).