6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol

C13H17NO3 — CID 13274736

IUPAC6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
SMILESOc1ccc2c(c1O)CCC(NC1CC1)C2O
InChIInChI=1S/C13H17NO3/c15-11-6-4-8-9(13(11)17)3-5-10(12(8)16)14-7-1-2-7/h4,6-7,10,12,14-17H,1-3,5H2
InChIKeyIGXLZZRHBMDIAX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.20
Rot. Bonds2

About 6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol

6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol (PubChem CID 13274736) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol.

Molecular Properties

Compound Name6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
PubChem CID13274736
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
SMILESOc1ccc2c(c1O)CCC(NC1CC1)C2O
InChIInChI=1S/C13H17NO3/c15-11-6-4-8-9(13(11)17)3-5-10(12(8)16)14-7-1-2-7/h4,6-7,10,12,14-17H,1-3,5H2
InChIKeyIGXLZZRHBMDIAX-UHFFFAOYSA-N
XLogP1.20
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol 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 6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol?
The IUPAC name of 6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol (CID 13274736) is 6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol.
What is the SMILES notation for 6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol?
The canonical SMILES for 6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol is Oc1ccc2c(c1O)CCC(NC1CC1)C2O.
What is the InChIKey of 6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol?
The InChIKey is IGXLZZRHBMDIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-6-4-8-9(13(11)17)3-5-10(12(8)16)14-7-1-2-7/h4,6-7,10,12,14-17H,1-3,5H2.
What are the key properties of 6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol?
6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol has a molecular weight of 235.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol is sourced from PubChem (CID 13274736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).