2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol

C9H15N3O — CID 43810753

IUPAC2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol
SMILESNC1CCCc2c1cnn2CCO
InChIInChI=1S/C9H15N3O/c10-8-2-1-3-9-7(8)6-11-12(9)4-5-13/h6,8,13H,1-5,10H2
InChIKeyHCBVNRIFWSZMKU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds2

About 2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol

2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol (PubChem CID 43810753) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol
PubChem CID43810753
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol
SMILESNC1CCCc2c1cnn2CCO
InChIInChI=1S/C9H15N3O/c10-8-2-1-3-9-7(8)6-11-12(9)4-5-13/h6,8,13H,1-5,10H2
InChIKeyHCBVNRIFWSZMKU-UHFFFAOYSA-N
XLogP0.21
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
The IUPAC name of 2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol (CID 43810753) is 2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
The canonical SMILES for 2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol is NC1CCCc2c1cnn2CCO.
What is the InChIKey of 2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
The InChIKey is HCBVNRIFWSZMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-8-2-1-3-9-7(8)6-11-12(9)4-5-13/h6,8,13H,1-5,10H2.
What are the key properties of 2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)ethanol is sourced from PubChem (CID 43810753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).