3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol

C8H11N5O2 — CID 170825474

IUPAC3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN=[N+]=[N-])nn1
InChIInChI=1S/C8H11N5O2/c1-5-2-3-6(12-11-5)8(15)7(14)4-10-13-9/h2-3,7-8,14-15H,4H2,1H3
InChIKeyREIJWHCGKXQVCY-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.49
Rot. Bonds4

About 3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol

3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol (PubChem CID 170825474) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol
PubChem CID170825474
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN=[N+]=[N-])nn1
InChIInChI=1S/C8H11N5O2/c1-5-2-3-6(12-11-5)8(15)7(14)4-10-13-9/h2-3,7-8,14-15H,4H2,1H3
InChIKeyREIJWHCGKXQVCY-UHFFFAOYSA-N
XLogP0.49
TPSA115.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol (CID 170825474) is 3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol is Cc1ccc(C(O)C(O)CN=[N+]=[N-])nn1.
What is the InChIKey of 3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The InChIKey is REIJWHCGKXQVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-5-2-3-6(12-11-5)8(15)7(14)4-10-13-9/h2-3,7-8,14-15H,4H2,1H3.
What are the key properties of 3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol has a molecular weight of 209.21 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(6-methylpyridazin-3-yl)propane-1,2-diol is sourced from PubChem (CID 170825474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).