7-azido-1-(oxan-2-yl)indazole

C12H13N5O — CID 169325768

IUPAC7-azido-1-(oxan-2-yl)indazole
SMILES[N-]=[N+]=Nc1cccc2cnn(C3CCCCO3)c12
InChIInChI=1S/C12H13N5O/c13-16-15-10-5-3-4-9-8-14-17(12(9)10)11-6-1-2-7-18-11/h3-5,8,11H,1-2,6-7H2
InChIKeyNYHGNAFWUFUGLF-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.68
Rot. Bonds2

About 7-azido-1-(oxan-2-yl)indazole

7-azido-1-(oxan-2-yl)indazole (PubChem CID 169325768) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 7-azido-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name7-azido-1-(oxan-2-yl)indazole
PubChem CID169325768
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name7-azido-1-(oxan-2-yl)indazole
SMILES[N-]=[N+]=Nc1cccc2cnn(C3CCCCO3)c12
InChIInChI=1S/C12H13N5O/c13-16-15-10-5-3-4-9-8-14-17(12(9)10)11-6-1-2-7-18-11/h3-5,8,11H,1-2,6-7H2
InChIKeyNYHGNAFWUFUGLF-UHFFFAOYSA-N
XLogP3.68
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

7-nitro-1-[(2R)-oxan-2-yl]indazole
CID 97052367
1-[(2S)-oxan-2-yl]indazole
CID 124562379
2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile
CID 168608920
7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
CID 167157773
4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329679
CID 162044579
CID 162044579
5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole
CID 129379553
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228983
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481
1-[6-methyl-1-(oxan-2-yl)indazol-7-yl]-2-oxocyclohexane-1-carboxylic acid
CID 146380372
5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one
CID 66875398

Frequently Asked Questions

What is the IUPAC name of 7-azido-1-(oxan-2-yl)indazole?
The IUPAC name of 7-azido-1-(oxan-2-yl)indazole (CID 169325768) is 7-azido-1-(oxan-2-yl)indazole.
What is the SMILES notation for 7-azido-1-(oxan-2-yl)indazole?
The canonical SMILES for 7-azido-1-(oxan-2-yl)indazole is [N-]=[N+]=Nc1cccc2cnn(C3CCCCO3)c12.
What is the InChIKey of 7-azido-1-(oxan-2-yl)indazole?
The InChIKey is NYHGNAFWUFUGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-16-15-10-5-3-4-9-8-14-17(12(9)10)11-6-1-2-7-18-11/h3-5,8,11H,1-2,6-7H2.
What are the key properties of 7-azido-1-(oxan-2-yl)indazole?
7-azido-1-(oxan-2-yl)indazole has a molecular weight of 243.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-1-(oxan-2-yl)indazole is sourced from PubChem (CID 169325768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).