1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde

C12H15N3O — CID 89115263

IUPAC1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde
SMILESCCNCCn1ncc2cccc(C=O)c21
InChIInChI=1S/C12H15N3O/c1-2-13-6-7-15-12-10(8-14-15)4-3-5-11(12)9-16/h3-5,8-9,13H,2,6-7H2,1H3
InChIKeyRSYKUEPLUAXDOI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.46
Rot. Bonds5

About 1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde

1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde (PubChem CID 89115263) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde
PubChem CID89115263
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde
SMILESCCNCCn1ncc2cccc(C=O)c21
InChIInChI=1S/C12H15N3O/c1-2-13-6-7-15-12-10(8-14-15)4-3-5-11(12)9-16/h3-5,8-9,13H,2,6-7H2,1H3
InChIKeyRSYKUEPLUAXDOI-UHFFFAOYSA-N
XLogP1.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde?
The IUPAC name of 1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde (CID 89115263) is 1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde?
The canonical SMILES for 1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde is CCNCCn1ncc2cccc(C=O)c21.
What is the InChIKey of 1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde?
The InChIKey is RSYKUEPLUAXDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-13-6-7-15-12-10(8-14-15)4-3-5-11(12)9-16/h3-5,8-9,13H,2,6-7H2,1H3.
What are the key properties of 1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde?
1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde has a molecular weight of 217.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]indazole-7-carbaldehyde is sourced from PubChem (CID 89115263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).