1H-indazole-5-carbonitrile

C8H5N3 — CID 11126384

IUPAC1H-indazole-5-carbonitrile
SMILESN#Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H5N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,(H,10,11)
InChIKeyYGBYVNQFNMXDJM-UHFFFAOYSA-N
MW143.15 g/mol
LogP1.43
Rot. Bonds

About 1H-indazole-5-carbonitrile

1H-indazole-5-carbonitrile (PubChem CID 11126384) has the molecular formula C8H5N3 and a molecular weight of 143.15 g/mol. Its IUPAC name is 1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name1H-indazole-5-carbonitrile
PubChem CID11126384
Molecular FormulaC8H5N3
Molecular Weight143.15 g/mol
Exact Mass143.05
IUPAC Name1H-indazole-5-carbonitrile
SMILESN#Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H5N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,(H,10,11)
InChIKeyYGBYVNQFNMXDJM-UHFFFAOYSA-N
XLogP1.43
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole-5-carbonitrile?
The IUPAC name of 1H-indazole-5-carbonitrile (CID 11126384) is 1H-indazole-5-carbonitrile.
What is the SMILES notation for 1H-indazole-5-carbonitrile?
The canonical SMILES for 1H-indazole-5-carbonitrile is N#Cc1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole-5-carbonitrile?
The InChIKey is YGBYVNQFNMXDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,(H,10,11).
What are the key properties of 1H-indazole-5-carbonitrile?
1H-indazole-5-carbonitrile has a molecular weight of 143.15 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-5-carbonitrile is sourced from PubChem (CID 11126384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).