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

Related Compounds

2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine
CID 170986716
2-benzyl-N-hydroxy-1H-indole-6-carboxamide
CID 87783085
N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
CID 86613153
5-benzyl-1H-imidazole-2-carbaldehyde
CID 18354304
phenyl(113C)methylbenzene
CID 11194569
3-(2-benzyl-1H-indol-5-yl)-2-ethoxypropanoic acid
CID 44625054
5-benzyl-2-benzylsulfanyl-1H-imidazole
CID 10221342
5-benzyl-3-bromo-1H-pyrazole
CID 151400606
8-benzyl-2-chloro-7H-purine
CID 150669812
3-(aminomethyl)-6-benzyl-4-methyl-1H-pyridin-2-one;ethane
CID 144554900
methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate
CID 70109234
N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine
CID 70680079

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).