4-aminocinnoline-3-carbohydrazide

C9H9N5O — CID 10679646

IUPAC4-aminocinnoline-3-carbohydrazide
SMILESNNC(=O)c1nnc2ccccc2c1N
InChIInChI=1S/C9H9N5O/c10-7-5-3-1-2-4-6(5)13-14-8(7)9(15)12-11/h1-4H,11H2,(H2,10,13)(H,12,15)
InChIKeyZLBUZOLBMNIJIA-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.18
Rot. Bonds1

About 4-aminocinnoline-3-carbohydrazide

4-aminocinnoline-3-carbohydrazide (PubChem CID 10679646) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 4-aminocinnoline-3-carbohydrazide.

Molecular Properties

Compound Name4-aminocinnoline-3-carbohydrazide
PubChem CID10679646
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name4-aminocinnoline-3-carbohydrazide
SMILESNNC(=O)c1nnc2ccccc2c1N
InChIInChI=1S/C9H9N5O/c10-7-5-3-1-2-4-6(5)13-14-8(7)9(15)12-11/h1-4H,11H2,(H2,10,13)(H,12,15)
InChIKeyZLBUZOLBMNIJIA-UHFFFAOYSA-N
XLogP-0.18
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-aminocinnoline-3-carbohydrazide?
The IUPAC name of 4-aminocinnoline-3-carbohydrazide (CID 10679646) is 4-aminocinnoline-3-carbohydrazide.
What is the SMILES notation for 4-aminocinnoline-3-carbohydrazide?
The canonical SMILES for 4-aminocinnoline-3-carbohydrazide is NNC(=O)c1nnc2ccccc2c1N.
What is the InChIKey of 4-aminocinnoline-3-carbohydrazide?
The InChIKey is ZLBUZOLBMNIJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-7-5-3-1-2-4-6(5)13-14-8(7)9(15)12-11/h1-4H,11H2,(H2,10,13)(H,12,15).
What are the key properties of 4-aminocinnoline-3-carbohydrazide?
4-aminocinnoline-3-carbohydrazide has a molecular weight of 203.21 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocinnoline-3-carbohydrazide is sourced from PubChem (CID 10679646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).