2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile

C10H7N5O2 — CID 3049409

IUPAC2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESCc1ccc([N+](=O)[O-])c(NN=C(C#N)C#N)c1
InChIInChI=1S/C10H7N5O2/c1-7-2-3-10(15(16)17)9(4-7)14-13-8(5-11)6-12/h2-4,14H,1H3
InChIKeyCJGNSSIVHXFTRI-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.72
Rot. Bonds3

About 2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile

2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile (PubChem CID 3049409) has the molecular formula C10H7N5O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
PubChem CID3049409
Molecular FormulaC10H7N5O2
Molecular Weight229.20 g/mol
Exact Mass229.06
IUPAC Name2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESCc1ccc([N+](=O)[O-])c(NN=C(C#N)C#N)c1
InChIInChI=1S/C10H7N5O2/c1-7-2-3-10(15(16)17)9(4-7)14-13-8(5-11)6-12/h2-4,14H,1H3
InChIKeyCJGNSSIVHXFTRI-UHFFFAOYSA-N
XLogP1.72
TPSA115.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile 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-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile (CID 3049409) is 2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile is Cc1ccc([N+](=O)[O-])c(NN=C(C#N)C#N)c1.
What is the InChIKey of 2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is CJGNSSIVHXFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2/c1-7-2-3-10(15(16)17)9(4-7)14-13-8(5-11)6-12/h2-4,14H,1H3.
What are the key properties of 2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile?
2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 229.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 3049409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).