[1-(3-ethoxypropyl)indazol-3-yl]methanamine

C13H19N3O — CID 65177727

IUPAC[1-(3-ethoxypropyl)indazol-3-yl]methanamine
SMILESCCOCCCn1nc(CN)c2ccccc21
InChIInChI=1S/C13H19N3O/c1-2-17-9-5-8-16-13-7-4-3-6-11(13)12(10-14)15-16/h3-4,6-7H,2,5,8-10,14H2,1H3
InChIKeyWAZUOPAOXMEPOU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds6

About [1-(3-ethoxypropyl)indazol-3-yl]methanamine

[1-(3-ethoxypropyl)indazol-3-yl]methanamine (PubChem CID 65177727) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(3-ethoxypropyl)indazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-ethoxypropyl)indazol-3-yl]methanamine
PubChem CID65177727
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[1-(3-ethoxypropyl)indazol-3-yl]methanamine
SMILESCCOCCCn1nc(CN)c2ccccc21
InChIInChI=1S/C13H19N3O/c1-2-17-9-5-8-16-13-7-4-3-6-11(13)12(10-14)15-16/h3-4,6-7H,2,5,8-10,14H2,1H3
InChIKeyWAZUOPAOXMEPOU-UHFFFAOYSA-N
XLogP1.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxypropyl)indazol-3-yl]methanamine?
The IUPAC name of [1-(3-ethoxypropyl)indazol-3-yl]methanamine (CID 65177727) is [1-(3-ethoxypropyl)indazol-3-yl]methanamine.
What is the SMILES notation for [1-(3-ethoxypropyl)indazol-3-yl]methanamine?
The canonical SMILES for [1-(3-ethoxypropyl)indazol-3-yl]methanamine is CCOCCCn1nc(CN)c2ccccc21.
What is the InChIKey of [1-(3-ethoxypropyl)indazol-3-yl]methanamine?
The InChIKey is WAZUOPAOXMEPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-17-9-5-8-16-13-7-4-3-6-11(13)12(10-14)15-16/h3-4,6-7H,2,5,8-10,14H2,1H3.
What are the key properties of [1-(3-ethoxypropyl)indazol-3-yl]methanamine?
[1-(3-ethoxypropyl)indazol-3-yl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxypropyl)indazol-3-yl]methanamine is sourced from PubChem (CID 65177727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).