5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol

C11H18N4O3 — CID 106138710

IUPAC5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
SMILESCC(O)CCCNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-8(16)4-3-7-13-9-5-2-6-10(14-12)11(9)15(17)18/h2,5-6,8,13-14,16H,3-4,7,12H2,1H3
InChIKeyRRPWUMQABWCADY-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.45
Rot. Bonds7

About 5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol

5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol (PubChem CID 106138710) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol.

Molecular Properties

Compound Name5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
PubChem CID106138710
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
SMILESCC(O)CCCNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-8(16)4-3-7-13-9-5-2-6-10(14-12)11(9)15(17)18/h2,5-6,8,13-14,16H,3-4,7,12H2,1H3
InChIKeyRRPWUMQABWCADY-UHFFFAOYSA-N
XLogP1.45
TPSA113.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.45
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-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
CID 80914228
5-[3-(methylamino)-2-nitroanilino]pentan-2-ol
CID 106138125
5-[3-(ethylamino)-2-nitroanilino]pentan-2-ol
CID 106138170
5-(3-amino-2-nitroanilino)pentan-2-ol
CID 106138135
3-hydrazinyl-N-(5-methylhexyl)-2-nitroaniline
CID 115327795
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 80899786
3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline
CID 80899703
2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80907483
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115992956
3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
CID 80897164
1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
CID 80914199

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol?
The IUPAC name of 5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol (CID 106138710) is 5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol.
What is the SMILES notation for 5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol?
The canonical SMILES for 5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol is CC(O)CCCNc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol?
The InChIKey is RRPWUMQABWCADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(16)4-3-7-13-9-5-2-6-10(14-12)11(9)15(17)18/h2,5-6,8,13-14,16H,3-4,7,12H2,1H3.
What are the key properties of 5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol?
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol has a molecular weight of 254.29 g/mol, XLogP of 1.45, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol is sourced from PubChem (CID 106138710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).