1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol

C11H16N4O3 — CID 80914199

IUPAC1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
SMILESNNc1cccc(NCC(O)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c12-14-9-3-1-2-8(11(9)15(17)18)13-6-10(16)7-4-5-7/h1-3,7,10,13-14,16H,4-6,12H2
InChIKeyNLURQJRLNDVAKR-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.06
Rot. Bonds6

About 1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol

1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol (PubChem CID 80914199) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
PubChem CID80914199
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
SMILESNNc1cccc(NCC(O)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c12-14-9-3-1-2-8(11(9)15(17)18)13-6-10(16)7-4-5-7/h1-3,7,10,13-14,16H,4-6,12H2
InChIKeyNLURQJRLNDVAKR-UHFFFAOYSA-N
XLogP1.06
TPSA113.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-nitrobenzenesulfonamide
CID 133443248
N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline
CID 80906458
3-hydrazinyl-2-nitro-N-(thian-4-ylmethyl)aniline
CID 113488480
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol
CID 80915431
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 80924148
2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80907483
3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 80921595
3-hydrazinyl-2-nitro-N-(thiolan-3-ylmethyl)aniline
CID 107298915
3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 106138658
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710
N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80901021
N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549532

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol (CID 80914199) is 1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol is NNc1cccc(NCC(O)C2CC2)c1[N+](=O)[O-].
What is the InChIKey of 1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol?
The InChIKey is NLURQJRLNDVAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-14-9-3-1-2-8(11(9)15(17)18)13-6-10(16)7-4-5-7/h1-3,7,10,13-14,16H,4-6,12H2.
What are the key properties of 1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol?
1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol has a molecular weight of 252.27 g/mol, XLogP of 1.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol is sourced from PubChem (CID 80914199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).