1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol

C7H10N6O2 — CID 170825539

IUPAC1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C7H10N6O2/c8-6-2-1-4(11-12-6)7(15)5(14)3-10-13-9/h1-2,5,7,14-15H,3H2,(H2,8,12)
InChIKeyMJIZHKYHJUESKF-UHFFFAOYSA-N
MW210.20 g/mol
LogP-0.24
Rot. Bonds4

About 1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol

1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol (PubChem CID 170825539) has the molecular formula C7H10N6O2 and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol.

Molecular Properties

Compound Name1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol
PubChem CID170825539
Molecular FormulaC7H10N6O2
Molecular Weight210.20 g/mol
Exact Mass210.09
IUPAC Name1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C7H10N6O2/c8-6-2-1-4(11-12-6)7(15)5(14)3-10-13-9/h1-2,5,7,14-15H,3H2,(H2,8,12)
InChIKeyMJIZHKYHJUESKF-UHFFFAOYSA-N
XLogP-0.24
TPSA141.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

(6-Aminopyridazin-3-yl)methanol hydrochloride
CID 126797015
(6-Aminopyridazin-3-yl)methanol
CID 20557894
N-[6-(1-hydroxyethyl)pyridazin-3-yl]methanesulfonamide
CID 71230505
1-(6-Aminopyridazin-3-yl)ethenol
CID 118425956
2-(6-Aminopyridazin-3-yl)propan-2-ol
CID 118545170
1-(6-Methylpyridazin-3-yl)propane-1,2-diol
CID 122701590
(1R,2R)-1-(6-methylpyridazin-3-yl)propane-1,2-diol
CID 124085414
(1S)-1-(6-aminopyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 168167444
(1R)-1-(6-aminopyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 172113654
Methyl 2-(6-aminopyridazin-3-yl)-2-hydroxyacetate
CID 175078662
(1S)-1-pyridazin-3-ylethane-1,2-diol
CID 21829459
(1S)-1-pyridazin-3-yl(214C)ethane-1,2-diol
CID 21853075

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol?
The IUPAC name of 1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol (CID 170825539) is 1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol.
What is the SMILES notation for 1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol?
The canonical SMILES for 1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1ccc(N)nn1.
What is the InChIKey of 1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol?
The InChIKey is MJIZHKYHJUESKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2/c8-6-2-1-4(11-12-6)7(15)5(14)3-10-13-9/h1-2,5,7,14-15H,3H2,(H2,8,12).
What are the key properties of 1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol?
1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol has a molecular weight of 210.20 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyridazin-3-yl)-3-azidopropane-1,2-diol is sourced from PubChem (CID 170825539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).