6-acetyl-1H-indazole-4-carbonitrile

C10H7N3O — CID 163708839

IUPAC6-acetyl-1H-indazole-4-carbonitrile
SMILESCC(=O)c1cc(C#N)c2cn[nH]c2c1
InChIInChI=1S/C10H7N3O/c1-6(14)7-2-8(4-11)9-5-12-13-10(9)3-7/h2-3,5H,1H3,(H,12,13)
InChIKeySJUICRPZPWKENE-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.64
Rot. Bonds1

About 6-acetyl-1H-indazole-4-carbonitrile

6-acetyl-1H-indazole-4-carbonitrile (PubChem CID 163708839) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 6-acetyl-1H-indazole-4-carbonitrile.

Molecular Properties

Compound Name6-acetyl-1H-indazole-4-carbonitrile
PubChem CID163708839
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name6-acetyl-1H-indazole-4-carbonitrile
SMILESCC(=O)c1cc(C#N)c2cn[nH]c2c1
InChIInChI=1S/C10H7N3O/c1-6(14)7-2-8(4-11)9-5-12-13-10(9)3-7/h2-3,5H,1H3,(H,12,13)
InChIKeySJUICRPZPWKENE-UHFFFAOYSA-N
XLogP1.64
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1H-indazole-4-carbonitrile?
The IUPAC name of 6-acetyl-1H-indazole-4-carbonitrile (CID 163708839) is 6-acetyl-1H-indazole-4-carbonitrile.
What is the SMILES notation for 6-acetyl-1H-indazole-4-carbonitrile?
The canonical SMILES for 6-acetyl-1H-indazole-4-carbonitrile is CC(=O)c1cc(C#N)c2cn[nH]c2c1.
What is the InChIKey of 6-acetyl-1H-indazole-4-carbonitrile?
The InChIKey is SJUICRPZPWKENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-6(14)7-2-8(4-11)9-5-12-13-10(9)3-7/h2-3,5H,1H3,(H,12,13).
What are the key properties of 6-acetyl-1H-indazole-4-carbonitrile?
6-acetyl-1H-indazole-4-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1H-indazole-4-carbonitrile is sourced from PubChem (CID 163708839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).