(5-amino-2H-indazol-3-yl)methanol

C8H9N3O — CID 53399263

IUPAC(5-amino-2H-indazol-3-yl)methanol
SMILESNc1ccc2n[nH]c(CO)c2c1
InChIInChI=1S/C8H9N3O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4,9H2,(H,10,11)
InChIKeyJQJZZHXZNOCXEA-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.64
Rot. Bonds1

About (5-amino-2H-indazol-3-yl)methanol

(5-amino-2H-indazol-3-yl)methanol (PubChem CID 53399263) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is (5-amino-2H-indazol-3-yl)methanol.

Molecular Properties

Compound Name(5-amino-2H-indazol-3-yl)methanol
PubChem CID53399263
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name(5-amino-2H-indazol-3-yl)methanol
SMILESNc1ccc2n[nH]c(CO)c2c1
InChIInChI=1S/C8H9N3O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4,9H2,(H,10,11)
InChIKeyJQJZZHXZNOCXEA-UHFFFAOYSA-N
XLogP0.64
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2H-indazol-3-yl)methanol?
The IUPAC name of (5-amino-2H-indazol-3-yl)methanol (CID 53399263) is (5-amino-2H-indazol-3-yl)methanol.
What is the SMILES notation for (5-amino-2H-indazol-3-yl)methanol?
The canonical SMILES for (5-amino-2H-indazol-3-yl)methanol is Nc1ccc2n[nH]c(CO)c2c1.
What is the InChIKey of (5-amino-2H-indazol-3-yl)methanol?
The InChIKey is JQJZZHXZNOCXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4,9H2,(H,10,11).
What are the key properties of (5-amino-2H-indazol-3-yl)methanol?
(5-amino-2H-indazol-3-yl)methanol has a molecular weight of 163.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2H-indazol-3-yl)methanol is sourced from PubChem (CID 53399263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).