3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol

C9H10N6O2 — CID 170826198

IUPAC3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1cnn2cccnc12
InChIInChI=1S/C9H10N6O2/c10-14-12-5-7(16)8(17)6-4-13-15-3-1-2-11-9(6)15/h1-4,7-8,16-17H,5H2
InChIKeyJGBAXQUVRAKXGF-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.43
Rot. Bonds4

About 3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol

3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol (PubChem CID 170826198) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol
PubChem CID170826198
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1cnn2cccnc12
InChIInChI=1S/C9H10N6O2/c10-14-12-5-7(16)8(17)6-4-13-15-3-1-2-11-9(6)15/h1-4,7-8,16-17H,5H2
InChIKeyJGBAXQUVRAKXGF-UHFFFAOYSA-N
XLogP0.43
TPSA119.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol?
The IUPAC name of 3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol (CID 170826198) is 3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol.
What is the SMILES notation for 3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol?
The canonical SMILES for 3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1cnn2cccnc12.
What is the InChIKey of 3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol?
The InChIKey is JGBAXQUVRAKXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c10-14-12-5-7(16)8(17)6-4-13-15-3-1-2-11-9(6)15/h1-4,7-8,16-17H,5H2.
What are the key properties of 3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol?
3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol has a molecular weight of 234.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-pyrazolo[1,5-a]pyrimidin-3-ylpropane-1,2-diol is sourced from PubChem (CID 170826198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).