1-(2-morpholin-4-ylethyl)indazol-5-amine

C13H18N4O — CID 57416135

IUPAC1-(2-morpholin-4-ylethyl)indazol-5-amine
SMILESNc1ccc2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C13H18N4O/c14-12-1-2-13-11(9-12)10-15-17(13)4-3-16-5-7-18-8-6-16/h1-2,9-10H,3-8,14H2
InChIKeyAWALIBINRQFIBG-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.95
Rot. Bonds3

About 1-(2-morpholin-4-ylethyl)indazol-5-amine

1-(2-morpholin-4-ylethyl)indazol-5-amine (PubChem CID 57416135) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)indazol-5-amine.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)indazol-5-amine
PubChem CID57416135
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(2-morpholin-4-ylethyl)indazol-5-amine
SMILESNc1ccc2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C13H18N4O/c14-12-1-2-13-11(9-12)10-15-17(13)4-3-16-5-7-18-8-6-16/h1-2,9-10H,3-8,14H2
InChIKeyAWALIBINRQFIBG-UHFFFAOYSA-N
XLogP0.95
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)indazol-5-amine?
The IUPAC name of 1-(2-morpholin-4-ylethyl)indazol-5-amine (CID 57416135) is 1-(2-morpholin-4-ylethyl)indazol-5-amine.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)indazol-5-amine?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)indazol-5-amine is Nc1ccc2c(cnn2CCN2CCOCC2)c1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)indazol-5-amine?
The InChIKey is AWALIBINRQFIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-12-1-2-13-11(9-12)10-15-17(13)4-3-16-5-7-18-8-6-16/h1-2,9-10H,3-8,14H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)indazol-5-amine?
1-(2-morpholin-4-ylethyl)indazol-5-amine has a molecular weight of 246.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)indazol-5-amine is sourced from PubChem (CID 57416135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).