3-(3-hydrazinyl-5-nitroanilino)propan-1-ol

C9H14N4O3 — CID 80944084

IUPAC3-(3-hydrazinyl-5-nitroanilino)propan-1-ol
SMILESNNc1cc(NCCCO)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H14N4O3/c10-12-8-4-7(11-2-1-3-14)5-9(6-8)13(15)16/h4-6,11-12,14H,1-3,10H2
InChIKeyUYMWXYMXNIUQMR-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.67
Rot. Bonds6

About 3-(3-hydrazinyl-5-nitroanilino)propan-1-ol

3-(3-hydrazinyl-5-nitroanilino)propan-1-ol (PubChem CID 80944084) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(3-hydrazinyl-5-nitroanilino)propan-1-ol.

Molecular Properties

Compound Name3-(3-hydrazinyl-5-nitroanilino)propan-1-ol
PubChem CID80944084
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-(3-hydrazinyl-5-nitroanilino)propan-1-ol
SMILESNNc1cc(NCCCO)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H14N4O3/c10-12-8-4-7(11-2-1-3-14)5-9(6-8)13(15)16/h4-6,11-12,14H,1-3,10H2
InChIKeyUYMWXYMXNIUQMR-UHFFFAOYSA-N
XLogP0.67
TPSA113.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-(3-amino-5-nitroanilino)propan-1-ol
CID 80772379
3-hydrazinyl-N-(3-methylsulfanylpropyl)-5-nitroaniline
CID 80913011
6-[3-(ethylamino)-5-nitroanilino]hexan-1-ol
CID 107855192
3-(3-nitroanilino)propan-1-ol
CID 13409919
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618
2-[3-(ethylamino)-5-nitroanilino]ethanol
CID 80766231
2-[3-nitro-5-(propylamino)anilino]ethanol
CID 80766320
N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline
CID 80899206
N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
2-(3-hydrazinyl-5-nitrophenoxy)ethanol
CID 80912775
2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol
CID 80921240
3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 80914336

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydrazinyl-5-nitroanilino)propan-1-ol?
The IUPAC name of 3-(3-hydrazinyl-5-nitroanilino)propan-1-ol (CID 80944084) is 3-(3-hydrazinyl-5-nitroanilino)propan-1-ol.
What is the SMILES notation for 3-(3-hydrazinyl-5-nitroanilino)propan-1-ol?
The canonical SMILES for 3-(3-hydrazinyl-5-nitroanilino)propan-1-ol is NNc1cc(NCCCO)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-hydrazinyl-5-nitroanilino)propan-1-ol?
The InChIKey is UYMWXYMXNIUQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-12-8-4-7(11-2-1-3-14)5-9(6-8)13(15)16/h4-6,11-12,14H,1-3,10H2.
What are the key properties of 3-(3-hydrazinyl-5-nitroanilino)propan-1-ol?
3-(3-hydrazinyl-5-nitroanilino)propan-1-ol has a molecular weight of 226.24 g/mol, XLogP of 0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydrazinyl-5-nitroanilino)propan-1-ol is sourced from PubChem (CID 80944084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).