2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol

C11H19N5O3 — CID 80918744

IUPAC2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O3/c1-3-11(4-2,7-17)14-10-8(16(18)19)5-6-9(13-10)15-12/h5-6,17H,3-4,7,12H2,1-2H3,(H2,13,14,15)
InChIKeyAHXBOKLZHSBKEY-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.24
Rot. Bonds7

About 2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol

2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol (PubChem CID 80918744) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol
PubChem CID80918744
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O3/c1-3-11(4-2,7-17)14-10-8(16(18)19)5-6-9(13-10)15-12/h5-6,17H,3-4,7,12H2,1-2H3,(H2,13,14,15)
InChIKeyAHXBOKLZHSBKEY-UHFFFAOYSA-N
XLogP1.24
TPSA126.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.24
H-Bond Donors ≤ 54
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-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114143244
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
CID 80922216
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106198965
3-methyl-3-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]pentan-1-ol
CID 106179181
N-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanamide
CID 80898006
2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 80915820
6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 80924578
6-hydrazinyl-N-(2-methylcyclohexyl)-3-nitropyridin-2-amine
CID 80943738

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol (CID 80918744) is 2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol is CCC(CC)(CO)Nc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is AHXBOKLZHSBKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-3-11(4-2,7-17)14-10-8(16(18)19)5-6-9(13-10)15-12/h5-6,17H,3-4,7,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol?
2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 80918744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).