N-cinnolin-4-ylformamide

C9H7N3O — CID 87322157

IUPACN-cinnolin-4-ylformamide
SMILESO=CNc1cnnc2ccccc12
InChIInChI=1S/C9H7N3O/c13-6-10-9-5-11-12-8-4-2-1-3-7(8)9/h1-6H,(H,10,12,13)
InChIKeyNXYKMFFMGHDKNJ-UHFFFAOYSA-N
MW173.18 g/mol
LogP1.20
Rot. Bonds2

About N-cinnolin-4-ylformamide

N-cinnolin-4-ylformamide (PubChem CID 87322157) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is N-cinnolin-4-ylformamide.

Molecular Properties

Compound NameN-cinnolin-4-ylformamide
PubChem CID87322157
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC NameN-cinnolin-4-ylformamide
SMILESO=CNc1cnnc2ccccc12
InChIInChI=1S/C9H7N3O/c13-6-10-9-5-11-12-8-4-2-1-3-7(8)9/h1-6H,(H,10,12,13)
InChIKeyNXYKMFFMGHDKNJ-UHFFFAOYSA-N
XLogP1.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 51.20
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-cinnolin-4-ylformamide?
The IUPAC name of N-cinnolin-4-ylformamide (CID 87322157) is N-cinnolin-4-ylformamide.
What is the SMILES notation for N-cinnolin-4-ylformamide?
The canonical SMILES for N-cinnolin-4-ylformamide is O=CNc1cnnc2ccccc12.
What is the InChIKey of N-cinnolin-4-ylformamide?
The InChIKey is NXYKMFFMGHDKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-6-10-9-5-11-12-8-4-2-1-3-7(8)9/h1-6H,(H,10,12,13).
What are the key properties of N-cinnolin-4-ylformamide?
N-cinnolin-4-ylformamide has a molecular weight of 173.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cinnolin-4-ylformamide is sourced from PubChem (CID 87322157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).