2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile

C11H9N5 — CID 929321

IUPAC2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(NN)n1
InChIInChI=1S/C11H9N5/c12-7-9-6-10(15-11(14-9)16-13)8-4-2-1-3-5-8/h1-6H,13H2,(H,14,15,16)
InChIKeyYZTVCDLGORZRNH-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.30
Rot. Bonds2

About 2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile

2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile (PubChem CID 929321) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile
PubChem CID929321
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(NN)n1
InChIInChI=1S/C11H9N5/c12-7-9-6-10(15-11(14-9)16-13)8-4-2-1-3-5-8/h1-6H,13H2,(H,14,15,16)
InChIKeyYZTVCDLGORZRNH-UHFFFAOYSA-N
XLogP1.30
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile?
The IUPAC name of 2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile (CID 929321) is 2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile is N#Cc1cc(-c2ccccc2)nc(NN)n1.
What is the InChIKey of 2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile?
The InChIKey is YZTVCDLGORZRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-7-9-6-10(15-11(14-9)16-13)8-4-2-1-3-5-8/h1-6H,13H2,(H,14,15,16).
What are the key properties of 2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile?
2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile has a molecular weight of 211.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-phenylpyrimidine-4-carbonitrile is sourced from PubChem (CID 929321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).