N-indazol-1-ylformamide

C8H7N3O — CID 639733

IUPACN-indazol-1-ylformamide
SMILESO=CNn1ncc2ccccc21
InChIInChI=1S/C8H7N3O/c12-6-10-11-8-4-2-1-3-7(8)5-9-11/h1-6H,(H,10,12)
InChIKeyGZPPYWSVMDICIK-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.74
Rot. Bonds2

About N-indazol-1-ylformamide

N-indazol-1-ylformamide (PubChem CID 639733) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is N-indazol-1-ylformamide.

Molecular Properties

Compound NameN-indazol-1-ylformamide
PubChem CID639733
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC NameN-indazol-1-ylformamide
SMILESO=CNn1ncc2ccccc21
InChIInChI=1S/C8H7N3O/c12-6-10-11-8-4-2-1-3-7(8)5-9-11/h1-6H,(H,10,12)
InChIKeyGZPPYWSVMDICIK-UHFFFAOYSA-N
XLogP0.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-indazol-1-ylformamide?
The IUPAC name of N-indazol-1-ylformamide (CID 639733) is N-indazol-1-ylformamide.
What is the SMILES notation for N-indazol-1-ylformamide?
The canonical SMILES for N-indazol-1-ylformamide is O=CNn1ncc2ccccc21.
What is the InChIKey of N-indazol-1-ylformamide?
The InChIKey is GZPPYWSVMDICIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-6-10-11-8-4-2-1-3-7(8)5-9-11/h1-6H,(H,10,12).
What are the key properties of N-indazol-1-ylformamide?
N-indazol-1-ylformamide has a molecular weight of 161.16 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-indazol-1-ylformamide is sourced from PubChem (CID 639733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).