2,3-dihydro-1H-indazole-3-carbonitrile

C8H7N3 — CID 69219149

IUPAC2,3-dihydro-1H-indazole-3-carbonitrile
SMILESN#CC1NNc2ccccc21
InChIInChI=1S/C8H7N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4,8,10-11H
InChIKeyNUPJKKJPZKBUQX-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.18
Rot. Bonds

About 2,3-dihydro-1H-indazole-3-carbonitrile

2,3-dihydro-1H-indazole-3-carbonitrile (PubChem CID 69219149) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2,3-dihydro-1H-indazole-3-carbonitrile.

Molecular Properties

Compound Name2,3-dihydro-1H-indazole-3-carbonitrile
PubChem CID69219149
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name2,3-dihydro-1H-indazole-3-carbonitrile
SMILESN#CC1NNc2ccccc21
InChIInChI=1S/C8H7N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4,8,10-11H
InChIKeyNUPJKKJPZKBUQX-UHFFFAOYSA-N
XLogP1.18
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indazole-3-carbonitrile?
The IUPAC name of 2,3-dihydro-1H-indazole-3-carbonitrile (CID 69219149) is 2,3-dihydro-1H-indazole-3-carbonitrile.
What is the SMILES notation for 2,3-dihydro-1H-indazole-3-carbonitrile?
The canonical SMILES for 2,3-dihydro-1H-indazole-3-carbonitrile is N#CC1NNc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-indazole-3-carbonitrile?
The InChIKey is NUPJKKJPZKBUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4,8,10-11H.
What are the key properties of 2,3-dihydro-1H-indazole-3-carbonitrile?
2,3-dihydro-1H-indazole-3-carbonitrile has a molecular weight of 145.16 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indazole-3-carbonitrile is sourced from PubChem (CID 69219149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).