1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol

C13H15N5O2 — CID 22496571

IUPAC1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol
SMILESCC(Cn1ncc2ccc3c(c21)CC(O)CO3)N=[N+]=[N-]
InChIInChI=1S/C13H15N5O2/c1-8(16-17-14)6-18-13-9(5-15-18)2-3-12-11(13)4-10(19)7-20-12/h2-3,5,8,10,19H,4,6-7H2,1H3
InChIKeyZPBYHDMYIBMTKN-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.03
Rot. Bonds3

About 1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol

1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol (PubChem CID 22496571) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol.

Molecular Properties

Compound Name1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol
PubChem CID22496571
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol
SMILESCC(Cn1ncc2ccc3c(c21)CC(O)CO3)N=[N+]=[N-]
InChIInChI=1S/C13H15N5O2/c1-8(16-17-14)6-18-13-9(5-15-18)2-3-12-11(13)4-10(19)7-20-12/h2-3,5,8,10,19H,4,6-7H2,1H3
InChIKeyZPBYHDMYIBMTKN-UHFFFAOYSA-N
XLogP2.03
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
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 1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol?
The IUPAC name of 1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol (CID 22496571) is 1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol.
What is the SMILES notation for 1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol?
The canonical SMILES for 1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol is CC(Cn1ncc2ccc3c(c21)CC(O)CO3)N=[N+]=[N-].
What is the InChIKey of 1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol?
The InChIKey is ZPBYHDMYIBMTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(16-17-14)6-18-13-9(5-15-18)2-3-12-11(13)4-10(19)7-20-12/h2-3,5,8,10,19H,4,6-7H2,1H3.
What are the key properties of 1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol?
1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol has a molecular weight of 273.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol is sourced from PubChem (CID 22496571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).