3-indazol-1-ylpropanenitrile

C10H9N3 — CID 3244150

IUPAC3-indazol-1-ylpropanenitrile
SMILESN#CCCn1ncc2ccccc21
InChIInChI=1S/C10H9N3/c11-6-3-7-13-10-5-2-1-4-9(10)8-12-13/h1-2,4-5,8H,3,7H2
InChIKeyLYGBKKOGWPGQGA-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.95
Rot. Bonds2

About 3-indazol-1-ylpropanenitrile

3-indazol-1-ylpropanenitrile (PubChem CID 3244150) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-indazol-1-ylpropanenitrile.

Molecular Properties

Compound Name3-indazol-1-ylpropanenitrile
PubChem CID3244150
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name3-indazol-1-ylpropanenitrile
SMILESN#CCCn1ncc2ccccc21
InChIInChI=1S/C10H9N3/c11-6-3-7-13-10-5-2-1-4-9(10)8-12-13/h1-2,4-5,8H,3,7H2
InChIKeyLYGBKKOGWPGQGA-UHFFFAOYSA-N
XLogP1.95
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-ylpropanenitrile?
The IUPAC name of 3-indazol-1-ylpropanenitrile (CID 3244150) is 3-indazol-1-ylpropanenitrile.
What is the SMILES notation for 3-indazol-1-ylpropanenitrile?
The canonical SMILES for 3-indazol-1-ylpropanenitrile is N#CCCn1ncc2ccccc21.
What is the InChIKey of 3-indazol-1-ylpropanenitrile?
The InChIKey is LYGBKKOGWPGQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c11-6-3-7-13-10-5-2-1-4-9(10)8-12-13/h1-2,4-5,8H,3,7H2.
What are the key properties of 3-indazol-1-ylpropanenitrile?
3-indazol-1-ylpropanenitrile has a molecular weight of 171.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-ylpropanenitrile is sourced from PubChem (CID 3244150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).