2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile

C22H14N10 — CID 54263273

IUPAC2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile
SMILESCc1nc2c(C#N)nnc(C#N)c2n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C22H14N10/c1-13-25-20-18(10-23)26-27-19(11-24)21(20)32(13)12-14-6-2-3-7-15(14)16-8-4-5-9-17(16)22-28-30-31-29-22/h2-9H,12H2,1H3,(H,28,29,30,31)
InChIKeyREZNOBBDQQLDKB-UHFFFAOYSA-N
MW418.42 g/mol
LogP2.77
Rot. Bonds4

About 2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile

2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile (PubChem CID 54263273) has the molecular formula C22H14N10 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile
PubChem CID54263273
Molecular FormulaC22H14N10
Molecular Weight418.42 g/mol
Exact Mass418.14
IUPAC Name2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile
SMILESCc1nc2c(C#N)nnc(C#N)c2n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C22H14N10/c1-13-25-20-18(10-23)26-27-19(11-24)21(20)32(13)12-14-6-2-3-7-15(14)16-8-4-5-9-17(16)22-28-30-31-29-22/h2-9H,12H2,1H3,(H,28,29,30,31)
InChIKeyREZNOBBDQQLDKB-UHFFFAOYSA-N
XLogP2.77
TPSA145.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile with MolForge

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Related Compounds

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-4-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 54252997
2-(2,2-dimethylpropyl)-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine
CID 54378868
[4-benzoyloxy-2-propan-2-yl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazin-7-yl] benzoate
CID 54536144
2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 67882947
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
3,8-dimethyl-1-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54373064
1,8-dimethyl-3-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54120896
2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 20604731
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 67942959

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile?
The IUPAC name of 2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile (CID 54263273) is 2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile.
What is the SMILES notation for 2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile?
The canonical SMILES for 2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile is Cc1nc2c(C#N)nnc(C#N)c2n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile?
The InChIKey is REZNOBBDQQLDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N10/c1-13-25-20-18(10-23)26-27-19(11-24)21(20)32(13)12-14-6-2-3-7-15(14)16-8-4-5-9-17(16)22-28-30-31-29-22/h2-9H,12H2,1H3,(H,28,29,30,31).
What are the key properties of 2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile?
2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile has a molecular weight of 418.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine-4,7-dicarbonitrile is sourced from PubChem (CID 54263273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).