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

C10H17N5O3 — CID 80916085

IUPAC1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-3-10(2,16)6-12-9-7(15(17)18)4-5-8(13-9)14-11/h4-5,16H,3,6,11H2,1-2H3,(H2,12,13,14)
InChIKeyOWMBJUKVZZQXJL-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.85
Rot. Bonds6

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

1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol (PubChem CID 80916085) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
PubChem CID80916085
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-3-10(2,16)6-12-9-7(15(17)18)4-5-8(13-9)14-11/h4-5,16H,3,6,11H2,1-2H3,(H2,12,13,14)
InChIKeyOWMBJUKVZZQXJL-UHFFFAOYSA-N
XLogP0.85
TPSA126.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.85
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
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80918744
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
1-(dimethylamino)-2-methyl-3-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
CID 106150176
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
3-[[(6-amino-3-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 80842997
3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 80850691
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114143244
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide
CID 106280492
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
CID 80922216

Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol (CID 80916085) is 1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol is CCC(C)(O)CNc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol?
The InChIKey is OWMBJUKVZZQXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-3-10(2,16)6-12-9-7(15(17)18)4-5-8(13-9)14-11/h4-5,16H,3,6,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol?
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 80916085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).