2-benzyl-1H-pyrrolo[2,3-d]pyridazine

C13H11N3 — CID 135037367

IUPAC2-benzyl-1H-pyrrolo[2,3-d]pyridazine
SMILESc1ccc(Cc2cc3cnncc3[nH]2)cc1
InChIInChI=1S/C13H11N3/c1-2-4-10(5-3-1)6-12-7-11-8-14-15-9-13(11)16-12/h1-5,7-9,16H,6H2
InChIKeyLJQBKKUJTQQJJU-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.55
Rot. Bonds2

About 2-benzyl-1H-pyrrolo[2,3-d]pyridazine

2-benzyl-1H-pyrrolo[2,3-d]pyridazine (PubChem CID 135037367) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-benzyl-1H-pyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name2-benzyl-1H-pyrrolo[2,3-d]pyridazine
PubChem CID135037367
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-benzyl-1H-pyrrolo[2,3-d]pyridazine
SMILESc1ccc(Cc2cc3cnncc3[nH]2)cc1
InChIInChI=1S/C13H11N3/c1-2-4-10(5-3-1)6-12-7-11-8-14-15-9-13(11)16-12/h1-5,7-9,16H,6H2
InChIKeyLJQBKKUJTQQJJU-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-1H-pyrrolo[2,3-d]pyridazine 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-benzyl-1H-pyrrolo[2,3-d]pyridazine?
The IUPAC name of 2-benzyl-1H-pyrrolo[2,3-d]pyridazine (CID 135037367) is 2-benzyl-1H-pyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 2-benzyl-1H-pyrrolo[2,3-d]pyridazine?
The canonical SMILES for 2-benzyl-1H-pyrrolo[2,3-d]pyridazine is c1ccc(Cc2cc3cnncc3[nH]2)cc1.
What is the InChIKey of 2-benzyl-1H-pyrrolo[2,3-d]pyridazine?
The InChIKey is LJQBKKUJTQQJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-4-10(5-3-1)6-12-7-11-8-14-15-9-13(11)16-12/h1-5,7-9,16H,6H2.
What are the key properties of 2-benzyl-1H-pyrrolo[2,3-d]pyridazine?
2-benzyl-1H-pyrrolo[2,3-d]pyridazine has a molecular weight of 209.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1H-pyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 135037367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).