2-nitro-1-pyridazin-4-ylpropan-1-ol

C7H9N3O3 — CID 15121371

IUPAC2-nitro-1-pyridazin-4-ylpropan-1-ol
SMILESCC(C(O)c1ccnnc1)[N+](=O)[O-]
InChIInChI=1S/C7H9N3O3/c1-5(10(12)13)7(11)6-2-3-8-9-4-6/h2-5,7,11H,1H3
InChIKeyYQRNQBYXWZWCOU-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.18
Rot. Bonds3

About 2-nitro-1-pyridazin-4-ylpropan-1-ol

2-nitro-1-pyridazin-4-ylpropan-1-ol (PubChem CID 15121371) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-nitro-1-pyridazin-4-ylpropan-1-ol.

Molecular Properties

Compound Name2-nitro-1-pyridazin-4-ylpropan-1-ol
PubChem CID15121371
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-nitro-1-pyridazin-4-ylpropan-1-ol
SMILESCC(C(O)c1ccnnc1)[N+](=O)[O-]
InChIInChI=1S/C7H9N3O3/c1-5(10(12)13)7(11)6-2-3-8-9-4-6/h2-5,7,11H,1H3
InChIKeyYQRNQBYXWZWCOU-UHFFFAOYSA-N
XLogP0.18
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-pyridazin-4-ylpropan-1-ol?
The IUPAC name of 2-nitro-1-pyridazin-4-ylpropan-1-ol (CID 15121371) is 2-nitro-1-pyridazin-4-ylpropan-1-ol.
What is the SMILES notation for 2-nitro-1-pyridazin-4-ylpropan-1-ol?
The canonical SMILES for 2-nitro-1-pyridazin-4-ylpropan-1-ol is CC(C(O)c1ccnnc1)[N+](=O)[O-].
What is the InChIKey of 2-nitro-1-pyridazin-4-ylpropan-1-ol?
The InChIKey is YQRNQBYXWZWCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-5(10(12)13)7(11)6-2-3-8-9-4-6/h2-5,7,11H,1H3.
What are the key properties of 2-nitro-1-pyridazin-4-ylpropan-1-ol?
2-nitro-1-pyridazin-4-ylpropan-1-ol has a molecular weight of 183.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-pyridazin-4-ylpropan-1-ol is sourced from PubChem (CID 15121371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).