1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine

C9H9N7O — CID 71695775

IUPAC1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine
SMILESOn1ncc2cc(NCc3nn[nH]n3)ccc21
InChIInChI=1S/C9H9N7O/c17-16-8-2-1-7(3-6(8)4-11-16)10-5-9-12-14-15-13-9/h1-4,10,17H,5H2,(H,12,13,14,15)
InChIKeyZFVZZHFDFFZYPO-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.40
Rot. Bonds3

About 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine

1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine (PubChem CID 71695775) has the molecular formula C9H9N7O and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine.

Molecular Properties

Compound Name1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine
PubChem CID71695775
Molecular FormulaC9H9N7O
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine
SMILESOn1ncc2cc(NCc3nn[nH]n3)ccc21
InChIInChI=1S/C9H9N7O/c17-16-8-2-1-7(3-6(8)4-11-16)10-5-9-12-14-15-13-9/h1-4,10,17H,5H2,(H,12,13,14,15)
InChIKeyZFVZZHFDFFZYPO-UHFFFAOYSA-N
XLogP0.40
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine?
The IUPAC name of 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine (CID 71695775) is 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine.
What is the SMILES notation for 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine?
The canonical SMILES for 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine is On1ncc2cc(NCc3nn[nH]n3)ccc21.
What is the InChIKey of 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine?
The InChIKey is ZFVZZHFDFFZYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O/c17-16-8-2-1-7(3-6(8)4-11-16)10-5-9-12-14-15-13-9/h1-4,10,17H,5H2,(H,12,13,14,15).
What are the key properties of 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine?
1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine has a molecular weight of 231.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)indazol-5-amine is sourced from PubChem (CID 71695775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).