2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione

C25H24N8O2 — CID 67946842

IUPAC2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
SMILESO=c1[nH][nH]c(=O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H24N8O2/c34-24-20-21(25(35)30-29-24)33(23(26-20)17-6-2-1-3-7-17)14-15-10-12-16(13-11-15)18-8-4-5-9-19(18)22-27-31-32-28-22/h4-5,8-13,17H,1-3,6-7,14H2,(H,29,34)(H,30,35)(H,27,28,31,32)
InChIKeyTYXNKZBXZOJNGB-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.36
Rot. Bonds5

About 2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione

2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione (PubChem CID 67946842) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione.

Molecular Properties

Compound Name2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
PubChem CID67946842
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
SMILESO=c1[nH][nH]c(=O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H24N8O2/c34-24-20-21(25(35)30-29-24)33(23(26-20)17-6-2-1-3-7-17)14-15-10-12-16(13-11-15)18-8-4-5-9-19(18)22-27-31-32-28-22/h4-5,8-13,17H,1-3,6-7,14H2,(H,29,34)(H,30,35)(H,27,28,31,32)
InChIKeyTYXNKZBXZOJNGB-UHFFFAOYSA-N
XLogP3.36
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 67947279
[2-cyclohexyl-7-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-4-yl] cyclohexanecarboxylate
CID 67946847
8-cyclohexyl-1,3-dipropyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54567126
[4-(cyclohexanecarbonyloxy)-2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazin-7-yl] cyclohexanecarboxylate
CID 67947139
[4-benzoyloxy-2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazin-7-yl] benzoate
CID 67947088
8-cyclohexyl-1-ethyl-3-methyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54168737
8-cyclohexyl-3-ethyl-1-methyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54084999
8-cyclohexyl-1-(cyclopropylmethyl)-3-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911772
8-cyclohexyl-1-(2-phenylethyl)-3-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54559774
8-cyclohexyl-3-ethyl-1-(2-methoxyethyl)-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911511
8-cyclohexyl-1-ethyl-3-(1-methoxyethyl)-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911737
8-cyclohexyl-1-(2-methylpropyl)-3-(2-phenylethyl)-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54491208

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione?
The IUPAC name of 2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione (CID 67946842) is 2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione.
What is the SMILES notation for 2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione?
The canonical SMILES for 2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione is O=c1[nH][nH]c(=O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione?
The InChIKey is TYXNKZBXZOJNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c34-24-20-21(25(35)30-29-24)33(23(26-20)17-6-2-1-3-7-17)14-15-10-12-16(13-11-15)18-8-4-5-9-19(18)22-27-31-32-28-22/h4-5,8-13,17H,1-3,6-7,14H2,(H,29,34)(H,30,35)(H,27,28,31,32).
What are the key properties of 2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione?
2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione has a molecular weight of 468.52 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione is sourced from PubChem (CID 67946842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).