N'-benzylpyrimidine-2-carbohydrazide

C12H12N4O — CID 3075667

IUPACN'-benzylpyrimidine-2-carbohydrazide
SMILESO=C(NNCc1ccccc1)c1ncccn1
InChIInChI=1S/C12H12N4O/c17-12(11-13-7-4-8-14-11)16-15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H,16,17)
InChIKeySBRZYSSCXNKQFO-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.91
Rot. Bonds4

About N'-benzylpyrimidine-2-carbohydrazide

N'-benzylpyrimidine-2-carbohydrazide (PubChem CID 3075667) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is N'-benzylpyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzylpyrimidine-2-carbohydrazide
PubChem CID3075667
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC NameN'-benzylpyrimidine-2-carbohydrazide
SMILESO=C(NNCc1ccccc1)c1ncccn1
InChIInChI=1S/C12H12N4O/c17-12(11-13-7-4-8-14-11)16-15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H,16,17)
InChIKeySBRZYSSCXNKQFO-UHFFFAOYSA-N
XLogP0.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-benzylpyrimidine-2-carbohydrazide 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 N'-benzylpyrimidine-2-carbohydrazide?
The IUPAC name of N'-benzylpyrimidine-2-carbohydrazide (CID 3075667) is N'-benzylpyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-benzylpyrimidine-2-carbohydrazide?
The canonical SMILES for N'-benzylpyrimidine-2-carbohydrazide is O=C(NNCc1ccccc1)c1ncccn1.
What is the InChIKey of N'-benzylpyrimidine-2-carbohydrazide?
The InChIKey is SBRZYSSCXNKQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c17-12(11-13-7-4-8-14-11)16-15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H,16,17).
What are the key properties of N'-benzylpyrimidine-2-carbohydrazide?
N'-benzylpyrimidine-2-carbohydrazide has a molecular weight of 228.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylpyrimidine-2-carbohydrazide is sourced from PubChem (CID 3075667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).