1-benzyl-5-pyridazin-3-ylindazole

C18H14N4 — CID 173219468

IUPAC1-benzyl-5-pyridazin-3-ylindazole
SMILESc1ccc(Cn2ncc3cc(-c4cccnn4)ccc32)cc1
InChIInChI=1S/C18H14N4/c1-2-5-14(6-3-1)13-22-18-9-8-15(11-16(18)12-20-22)17-7-4-10-19-21-17/h1-12H,13H2
InChIKeyZUHMWJCQKDGSBX-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.54
Rot. Bonds3

About 1-benzyl-5-pyridazin-3-ylindazole

1-benzyl-5-pyridazin-3-ylindazole (PubChem CID 173219468) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-benzyl-5-pyridazin-3-ylindazole.

Molecular Properties

Compound Name1-benzyl-5-pyridazin-3-ylindazole
PubChem CID173219468
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name1-benzyl-5-pyridazin-3-ylindazole
SMILESc1ccc(Cn2ncc3cc(-c4cccnn4)ccc32)cc1
InChIInChI=1S/C18H14N4/c1-2-5-14(6-3-1)13-22-18-9-8-15(11-16(18)12-20-22)17-7-4-10-19-21-17/h1-12H,13H2
InChIKeyZUHMWJCQKDGSBX-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-5-pyridazin-3-ylindazole 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

1-benzyl-5-pyridazin-4-ylindazole
CID 173219391
1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole
CID 90893052
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
2-(1-benzylindazol-5-yl)-7-iodoquinazolin-4-amine
CID 57038816
1-benzyl-5,6-dimethoxyindazole
CID 83414174
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
1-benzyl-6-fluoroindazole
CID 83414179
N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide
CID 169370080
(E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647943
N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine
CID 90745460
1-[5-(1-benzyl-5-methyltriazol-4-yl)indazol-1-yl]ethanone
CID 68988882
1-benzyl-6-ethenylindazole
CID 58486291

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-pyridazin-3-ylindazole?
The IUPAC name of 1-benzyl-5-pyridazin-3-ylindazole (CID 173219468) is 1-benzyl-5-pyridazin-3-ylindazole.
What is the SMILES notation for 1-benzyl-5-pyridazin-3-ylindazole?
The canonical SMILES for 1-benzyl-5-pyridazin-3-ylindazole is c1ccc(Cn2ncc3cc(-c4cccnn4)ccc32)cc1.
What is the InChIKey of 1-benzyl-5-pyridazin-3-ylindazole?
The InChIKey is ZUHMWJCQKDGSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-5-14(6-3-1)13-22-18-9-8-15(11-16(18)12-20-22)17-7-4-10-19-21-17/h1-12H,13H2.
What are the key properties of 1-benzyl-5-pyridazin-3-ylindazole?
1-benzyl-5-pyridazin-3-ylindazole has a molecular weight of 286.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-pyridazin-3-ylindazole is sourced from PubChem (CID 173219468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).