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

C8H13N5O3 — CID 80943307

IUPAC3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
SMILESNNc1ccc([N+](=O)[O-])c(NCCCO)n1
InChIInChI=1S/C8H13N5O3/c9-12-7-3-2-6(13(15)16)8(11-7)10-4-1-5-14/h2-3,14H,1,4-5,9H2,(H2,10,11,12)
InChIKeyQHKPEOZZQTZILE-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.07
Rot. Bonds6

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

3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol (PubChem CID 80943307) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
PubChem CID80943307
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
SMILESNNc1ccc([N+](=O)[O-])c(NCCCO)n1
InChIInChI=1S/C8H13N5O3/c9-12-7-3-2-6(13(15)16)8(11-7)10-4-1-5-14/h2-3,14H,1,4-5,9H2,(H2,10,11,12)
InChIKeyQHKPEOZZQTZILE-UHFFFAOYSA-N
XLogP0.07
TPSA126.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 80912104
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 80905959
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
CID 80922216
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 114175800
6-hydrazinyl-3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 80896602
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114143244

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol (CID 80943307) is 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol is NNc1ccc([N+](=O)[O-])c(NCCCO)n1.
What is the InChIKey of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is QHKPEOZZQTZILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c9-12-7-3-2-6(13(15)16)8(11-7)10-4-1-5-14/h2-3,14H,1,4-5,9H2,(H2,10,11,12).
What are the key properties of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol?
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 227.22 g/mol, XLogP of 0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 80943307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).