2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine

C24H24N8 — CID 54378868

IUPAC2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine
SMILESCC(C)(C)Cc1nc2cnncc2n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H24N8/c1-24(2,3)12-22-27-20-13-25-26-14-21(20)32(22)15-16-8-4-5-9-17(16)18-10-6-7-11-19(18)23-28-30-31-29-23/h4-11,13-14H,12,15H2,1-3H3,(H,28,29,30,31)
InChIKeyUYMQVDUMLPSRRR-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.31
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine

2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine (PubChem CID 54378868) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine
PubChem CID54378868
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC Name2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine
SMILESCC(C)(C)Cc1nc2cnncc2n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H24N8/c1-24(2,3)12-22-27-20-13-25-26-14-21(20)32(22)15-16-8-4-5-9-17(16)18-10-6-7-11-19(18)23-28-30-31-29-23/h4-11,13-14H,12,15H2,1-3H3,(H,28,29,30,31)
InChIKeyUYMQVDUMLPSRRR-UHFFFAOYSA-N
XLogP4.31
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
CID 67555951
2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 67882947
3-[2-cyclopropyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,4-dimethyl-1,5-dihydropyridazin-6-one
CID 67789638
8-(2,2-dimethylpropyl)-3-methyl-1-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54050249
2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile
CID 54263273
4,7-bis(benzylsulfanyl)-2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine
CID 54047187
2-butyl-6-(2-chlorophenyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 10414314
2-butyl-4-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 54252997
3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
CID 67846425
3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
CID 67846397
methyl 2-[8-(2,2-dimethylpropyl)-1-(2-methoxyethyl)-2,6-dioxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purin-3-yl]acetate
CID 67912015
8-(2,2-dimethylpropyl)-1-(2-methylpropyl)-3-(2-phenylethyl)-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,6-dihydropurine
CID 67911448

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine (CID 54378868) is 2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine is CC(C)(C)Cc1nc2cnncc2n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine?
The InChIKey is UYMQVDUMLPSRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-24(2,3)12-22-27-20-13-25-26-14-21(20)32(22)15-16-8-4-5-9-17(16)18-10-6-7-11-19(18)23-28-30-31-29-23/h4-11,13-14H,12,15H2,1-3H3,(H,28,29,30,31).
What are the key properties of 2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine?
2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine has a molecular weight of 424.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine is sourced from PubChem (CID 54378868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).