1-benzyl-5-pyridazin-4-ylindazole

C18H14N4 — CID 173219391

IUPAC1-benzyl-5-pyridazin-4-ylindazole
SMILESc1ccc(Cn2ncc3cc(-c4ccnnc4)ccc32)cc1
InChIInChI=1S/C18H14N4/c1-2-4-14(5-3-1)13-22-18-7-6-15(10-17(18)12-21-22)16-8-9-19-20-11-16/h1-12H,13H2
InChIKeyCPAVTEJCHJJXMS-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.54
Rot. Bonds3

About 1-benzyl-5-pyridazin-4-ylindazole

1-benzyl-5-pyridazin-4-ylindazole (PubChem CID 173219391) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-benzyl-5-pyridazin-4-ylindazole.

Molecular Properties

Compound Name1-benzyl-5-pyridazin-4-ylindazole
PubChem CID173219391
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name1-benzyl-5-pyridazin-4-ylindazole
SMILESc1ccc(Cn2ncc3cc(-c4ccnnc4)ccc32)cc1
InChIInChI=1S/C18H14N4/c1-2-4-14(5-3-1)13-22-18-7-6-15(10-17(18)12-21-22)16-8-9-19-20-11-16/h1-12H,13H2
InChIKeyCPAVTEJCHJJXMS-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

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Related Compounds

1-benzyl-5-pyridazin-3-ylindazole
CID 173219468
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
5-(1-benzylindazol-6-yl)-1-methylpyridin-2-one
CID 175983877
N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide
CID 169370080
N-(2-aminophenyl)-1-benzylindazole-5-carboxamide
CID 78325027
1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
CID 169188030
(E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647943

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-pyridazin-4-ylindazole?
The IUPAC name of 1-benzyl-5-pyridazin-4-ylindazole (CID 173219391) is 1-benzyl-5-pyridazin-4-ylindazole.
What is the SMILES notation for 1-benzyl-5-pyridazin-4-ylindazole?
The canonical SMILES for 1-benzyl-5-pyridazin-4-ylindazole is c1ccc(Cn2ncc3cc(-c4ccnnc4)ccc32)cc1.
What is the InChIKey of 1-benzyl-5-pyridazin-4-ylindazole?
The InChIKey is CPAVTEJCHJJXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-4-14(5-3-1)13-22-18-7-6-15(10-17(18)12-21-22)16-8-9-19-20-11-16/h1-12H,13H2.
What are the key properties of 1-benzyl-5-pyridazin-4-ylindazole?
1-benzyl-5-pyridazin-4-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-4-ylindazole is sourced from PubChem (CID 173219391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).