3-(6-methoxy-2H-indazol-3-yl)propanenitrile

C11H11N3O — CID 84721358

IUPAC3-(6-methoxy-2H-indazol-3-yl)propanenitrile
SMILESCOc1ccc2c(CCC#N)[nH]nc2c1
InChIInChI=1S/C11H11N3O/c1-15-8-4-5-9-10(3-2-6-12)13-14-11(9)7-8/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyNVDHCVLCMLHYEG-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.03
Rot. Bonds3

About 3-(6-methoxy-2H-indazol-3-yl)propanenitrile

3-(6-methoxy-2H-indazol-3-yl)propanenitrile (PubChem CID 84721358) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(6-methoxy-2H-indazol-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(6-methoxy-2H-indazol-3-yl)propanenitrile
PubChem CID84721358
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-(6-methoxy-2H-indazol-3-yl)propanenitrile
SMILESCOc1ccc2c(CCC#N)[nH]nc2c1
InChIInChI=1S/C11H11N3O/c1-15-8-4-5-9-10(3-2-6-12)13-14-11(9)7-8/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyNVDHCVLCMLHYEG-UHFFFAOYSA-N
XLogP2.03
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-methoxy-2H-indazol-3-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-methoxy-2H-indazol-3-yl)propan-2-amine
CID 83908741
ethane;6-methoxy-3-methyl-2H-indazole
CID 142896061
2-(5-methoxy-2H-indazol-3-yl)acetamide
CID 76846209
3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide
CID 57230790
3-(7-methoxyisoquinolin-1-yl)propanenitrile
CID 116995323
3-(2-hydroxy-5-methoxyphenyl)propanenitrile
CID 130773609
3-[4-(4-methoxyphenyl)pyrimidin-2-yl]propanenitrile
CID 116901089
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
3-[2-(difluoromethyl)-4-methoxyphenyl]propanenitrile
CID 118826042
2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile
CID 76846222
3-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]propanenitrile
CID 84640649

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2H-indazol-3-yl)propanenitrile?
The IUPAC name of 3-(6-methoxy-2H-indazol-3-yl)propanenitrile (CID 84721358) is 3-(6-methoxy-2H-indazol-3-yl)propanenitrile.
What is the SMILES notation for 3-(6-methoxy-2H-indazol-3-yl)propanenitrile?
The canonical SMILES for 3-(6-methoxy-2H-indazol-3-yl)propanenitrile is COc1ccc2c(CCC#N)[nH]nc2c1.
What is the InChIKey of 3-(6-methoxy-2H-indazol-3-yl)propanenitrile?
The InChIKey is NVDHCVLCMLHYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-15-8-4-5-9-10(3-2-6-12)13-14-11(9)7-8/h4-5,7H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-(6-methoxy-2H-indazol-3-yl)propanenitrile?
3-(6-methoxy-2H-indazol-3-yl)propanenitrile has a molecular weight of 201.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2H-indazol-3-yl)propanenitrile is sourced from PubChem (CID 84721358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).