1H-indazole-3-carbohydrazide

C8H8N4O — CID 2727853

IUPAC1H-indazole-3-carbohydrazide
SMILESNNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C8H8N4O/c9-10-8(13)7-5-3-1-2-4-6(5)11-12-7/h1-4H,9H2,(H,10,13)(H,11,12)
InChIKeyJOUPSJAGJHYWLM-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.17
Rot. Bonds1

About 1H-indazole-3-carbohydrazide

1H-indazole-3-carbohydrazide (PubChem CID 2727853) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 1H-indazole-3-carbohydrazide.

Molecular Properties

Compound Name1H-indazole-3-carbohydrazide
PubChem CID2727853
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name1H-indazole-3-carbohydrazide
SMILESNNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C8H8N4O/c9-10-8(13)7-5-3-1-2-4-6(5)11-12-7/h1-4H,9H2,(H,10,13)(H,11,12)
InChIKeyJOUPSJAGJHYWLM-UHFFFAOYSA-N
XLogP0.17
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole-3-carbohydrazide?
The IUPAC name of 1H-indazole-3-carbohydrazide (CID 2727853) is 1H-indazole-3-carbohydrazide.
What is the SMILES notation for 1H-indazole-3-carbohydrazide?
The canonical SMILES for 1H-indazole-3-carbohydrazide is NNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazole-3-carbohydrazide?
The InChIKey is JOUPSJAGJHYWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-10-8(13)7-5-3-1-2-4-6(5)11-12-7/h1-4H,9H2,(H,10,13)(H,11,12).
What are the key properties of 1H-indazole-3-carbohydrazide?
1H-indazole-3-carbohydrazide has a molecular weight of 176.18 g/mol, XLogP of 0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-3-carbohydrazide is sourced from PubChem (CID 2727853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).