3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol

C8H13N5O4 — CID 80922216

IUPAC3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
SMILESNNc1ccc([N+](=O)[O-])c(NCC(O)CO)n1
InChIInChI=1S/C8H13N5O4/c9-12-7-2-1-6(13(16)17)8(11-7)10-3-5(15)4-14/h1-2,5,14-15H,3-4,9H2,(H2,10,11,12)
InChIKeyGMIBXGZAZNOSDM-UHFFFAOYSA-N
MW243.22 g/mol
LogP-0.96
Rot. Bonds6

About 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol

3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol (PubChem CID 80922216) has the molecular formula C8H13N5O4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
PubChem CID80922216
Molecular FormulaC8H13N5O4
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
SMILESNNc1ccc([N+](=O)[O-])c(NCC(O)CO)n1
InChIInChI=1S/C8H13N5O4/c9-12-7-2-1-6(13(16)17)8(11-7)10-3-5(15)4-14/h1-2,5,14-15H,3-4,9H2,(H2,10,11,12)
InChIKeyGMIBXGZAZNOSDM-UHFFFAOYSA-N
XLogP-0.96
TPSA146.57 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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'}

Analyze 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol with MolForge

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Related Compounds

1-cyclopropyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanol
CID 80913877
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 80926673
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106198965
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
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 80905959
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
4-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentan-2-ol
CID 107159646
2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80918744
6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 80912104

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol?
The IUPAC name of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol (CID 80922216) is 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol is NNc1ccc([N+](=O)[O-])c(NCC(O)CO)n1.
What is the InChIKey of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol?
The InChIKey is GMIBXGZAZNOSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O4/c9-12-7-2-1-6(13(16)17)8(11-7)10-3-5(15)4-14/h1-2,5,14-15H,3-4,9H2,(H2,10,11,12).
What are the key properties of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol?
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol has a molecular weight of 243.22 g/mol, XLogP of -0.96, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol is sourced from PubChem (CID 80922216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).