1-(oxan-2-yl)indazole-5-carbonitrile

C13H13N3O — CID 58125480

IUPAC1-(oxan-2-yl)indazole-5-carbonitrile
SMILESN#Cc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C13H13N3O/c14-8-10-4-5-12-11(7-10)9-15-16(12)13-3-1-2-6-17-13/h4-5,7,9,13H,1-3,6H2
InChIKeyAGMZLYNPRZVJPW-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.61
Rot. Bonds1

About 1-(oxan-2-yl)indazole-5-carbonitrile

1-(oxan-2-yl)indazole-5-carbonitrile (PubChem CID 58125480) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(oxan-2-yl)indazole-5-carbonitrile.

Molecular Properties

Compound Name1-(oxan-2-yl)indazole-5-carbonitrile
PubChem CID58125480
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(oxan-2-yl)indazole-5-carbonitrile
SMILESN#Cc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C13H13N3O/c14-8-10-4-5-12-11(7-10)9-15-16(12)13-3-1-2-6-17-13/h4-5,7,9,13H,1-3,6H2
InChIKeyAGMZLYNPRZVJPW-UHFFFAOYSA-N
XLogP2.61
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal
CID 86663366
1-(oxan-2-yl)-5-pent-1-ynylindazole
CID 66793301
4-[1-(oxan-2-yl)indazol-5-yl]but-3-yn-1-ol
CID 66793408
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
1-[(2S)-oxan-2-yl]indazole
CID 124562379
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
5-benzyl-1-(oxan-2-yl)indazole
CID 156734105
1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
CID 178036760
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137431
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)indazole-5-carbonitrile?
The IUPAC name of 1-(oxan-2-yl)indazole-5-carbonitrile (CID 58125480) is 1-(oxan-2-yl)indazole-5-carbonitrile.
What is the SMILES notation for 1-(oxan-2-yl)indazole-5-carbonitrile?
The canonical SMILES for 1-(oxan-2-yl)indazole-5-carbonitrile is N#Cc1ccc2c(cnn2C2CCCCO2)c1.
What is the InChIKey of 1-(oxan-2-yl)indazole-5-carbonitrile?
The InChIKey is AGMZLYNPRZVJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-8-10-4-5-12-11(7-10)9-15-16(12)13-3-1-2-6-17-13/h4-5,7,9,13H,1-3,6H2.
What are the key properties of 1-(oxan-2-yl)indazole-5-carbonitrile?
1-(oxan-2-yl)indazole-5-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)indazole-5-carbonitrile is sourced from PubChem (CID 58125480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).