1-methyl-3-oxo-2H-indazole-7-carbonitrile

C9H7N3O — CID 105435392

IUPAC1-methyl-3-oxo-2H-indazole-7-carbonitrile
SMILESCn1[nH]c(=O)c2cccc(C#N)c21
InChIInChI=1S/C9H7N3O/c1-12-8-6(5-10)3-2-4-7(8)9(13)11-12/h2-4H,1H3,(H,11,13)
InChIKeyPEAZBFAYOSXKAG-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.74
Rot. Bonds

About 1-methyl-3-oxo-2H-indazole-7-carbonitrile

1-methyl-3-oxo-2H-indazole-7-carbonitrile (PubChem CID 105435392) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 1-methyl-3-oxo-2H-indazole-7-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-oxo-2H-indazole-7-carbonitrile
PubChem CID105435392
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name1-methyl-3-oxo-2H-indazole-7-carbonitrile
SMILESCn1[nH]c(=O)c2cccc(C#N)c21
InChIInChI=1S/C9H7N3O/c1-12-8-6(5-10)3-2-4-7(8)9(13)11-12/h2-4H,1H3,(H,11,13)
InChIKeyPEAZBFAYOSXKAG-UHFFFAOYSA-N
XLogP0.74
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-oxo-2H-indazole-7-carbaldehyde
CID 105436370
2-methyl-3-oxo-1H-indazole-4-carbonitrile
CID 105435395
2-methyl-3-oxo-1H-pyrazolo[4,3-c]quinoline-6-carbonitrile
CID 53264511
2-formyl-1,3-dimethylindole-7-carbonitrile
CID 105451423
1,3-dimethylindazole-7-carbonitrile
CID 83816263
ethane;3-methyl-2H-phthalazine-1,4-dione
CID 162182328
9-methylcarbazole-1,6-dicarbonitrile
CID 122501071
2-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]benzonitrile
CID 107785676
1-methyl-2-oxo-3H-indole-7-carbonitrile
CID 82653401
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
3-[(4-ethoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-8-carbonitrile
CID 89488521
9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile
CID 122501086

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oxo-2H-indazole-7-carbonitrile?
The IUPAC name of 1-methyl-3-oxo-2H-indazole-7-carbonitrile (CID 105435392) is 1-methyl-3-oxo-2H-indazole-7-carbonitrile.
What is the SMILES notation for 1-methyl-3-oxo-2H-indazole-7-carbonitrile?
The canonical SMILES for 1-methyl-3-oxo-2H-indazole-7-carbonitrile is Cn1[nH]c(=O)c2cccc(C#N)c21.
What is the InChIKey of 1-methyl-3-oxo-2H-indazole-7-carbonitrile?
The InChIKey is PEAZBFAYOSXKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-12-8-6(5-10)3-2-4-7(8)9(13)11-12/h2-4H,1H3,(H,11,13).
What are the key properties of 1-methyl-3-oxo-2H-indazole-7-carbonitrile?
1-methyl-3-oxo-2H-indazole-7-carbonitrile has a molecular weight of 173.17 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxo-2H-indazole-7-carbonitrile is sourced from PubChem (CID 105435392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).