6-(6-aminoindazol-1-yl)hexan-1-ol

C13H19N3O — CID 107703730

IUPAC6-(6-aminoindazol-1-yl)hexan-1-ol
SMILESNc1ccc2cnn(CCCCCCO)c2c1
InChIInChI=1S/C13H19N3O/c14-12-6-5-11-10-15-16(13(11)9-12)7-3-1-2-4-8-17/h5-6,9-10,17H,1-4,7-8,14H2
InChIKeyWCSWSXDKYBWANI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds6

About 6-(6-aminoindazol-1-yl)hexan-1-ol

6-(6-aminoindazol-1-yl)hexan-1-ol (PubChem CID 107703730) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-(6-aminoindazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(6-aminoindazol-1-yl)hexan-1-ol
PubChem CID107703730
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-(6-aminoindazol-1-yl)hexan-1-ol
SMILESNc1ccc2cnn(CCCCCCO)c2c1
InChIInChI=1S/C13H19N3O/c14-12-6-5-11-10-15-16(13(11)9-12)7-3-1-2-4-8-17/h5-6,9-10,17H,1-4,7-8,14H2
InChIKeyWCSWSXDKYBWANI-UHFFFAOYSA-N
XLogP2.17
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-aminoindazol-1-yl)hexan-1-ol?
The IUPAC name of 6-(6-aminoindazol-1-yl)hexan-1-ol (CID 107703730) is 6-(6-aminoindazol-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(6-aminoindazol-1-yl)hexan-1-ol?
The canonical SMILES for 6-(6-aminoindazol-1-yl)hexan-1-ol is Nc1ccc2cnn(CCCCCCO)c2c1.
What is the InChIKey of 6-(6-aminoindazol-1-yl)hexan-1-ol?
The InChIKey is WCSWSXDKYBWANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12-6-5-11-10-15-16(13(11)9-12)7-3-1-2-4-8-17/h5-6,9-10,17H,1-4,7-8,14H2.
What are the key properties of 6-(6-aminoindazol-1-yl)hexan-1-ol?
6-(6-aminoindazol-1-yl)hexan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-aminoindazol-1-yl)hexan-1-ol is sourced from PubChem (CID 107703730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).