3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine

C24H14N24 — CID 129162520

IUPAC3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine
SMILESc1cc(-c2nnc(-c3ccnn3-c3[nH]ncc3-c3nnc(-c4cn[nH]c4-n4cncc4-c4nnc(-c5cnc[nH]5)nn4)nn3)nn2)[nH]n1
InChIInChI=1S/C24H14N24/c1-3-28-32-13(1)19-37-41-21(42-38-19)15-2-4-31-48(15)24-12(6-30-46-24)18-35-33-17(34-36-18)11-5-29-45-23(11)47-10-26-8-16(47)22-43-39-20(40-44-22)14-7-25-9-27-14/h1-10H,(H,25,27)(H,28,32)(H,29,45)(H,30,46)
InChIKeyQGWGARKONPLHCZ-UHFFFAOYSA-N
MW638.54 g/mol
LogP-0.31
Rot. Bonds8

About 3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine

3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine (PubChem CID 129162520) has the molecular formula C24H14N24 and a molecular weight of 638.54 g/mol. Its IUPAC name is 3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine
PubChem CID129162520
Molecular FormulaC24H14N24
Molecular Weight638.54 g/mol
Exact Mass638.18
IUPAC Name3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine
SMILESc1cc(-c2nnc(-c3ccnn3-c3[nH]ncc3-c3nnc(-c4cn[nH]c4-n4cncc4-c4nnc(-c5cnc[nH]5)nn4)nn3)nn2)[nH]n1
InChIInChI=1S/C24H14N24/c1-3-28-32-13(1)19-37-41-21(42-38-19)15-2-4-31-48(15)24-12(6-30-46-24)18-35-33-17(34-36-18)11-5-29-45-23(11)47-10-26-8-16(47)22-43-39-20(40-44-22)14-7-25-9-27-14/h1-10H,(H,25,27)(H,28,32)(H,29,45)(H,30,46)
InChIKeyQGWGARKONPLHCZ-UHFFFAOYSA-N
XLogP-0.31
TPSA305.04 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.54
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine with MolForge

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Launch Full Analysis

Related Compounds

4-Amino-2,6-bis(pyrazol-1-ylmethyl)-5-(pyrazol-1-yl)pyrimidine
CID 139175270
4-ethyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979907
4-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-7-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67122086
5-[[5-Amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile
CID 136210986
5-[[5-Amino-1-[6-[5-amino-4-[(4-isocyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carbonitrile
CID 136211002
2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-5-(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)-2-(1H-pyrrol-2-yl)tetrazolidin-1-yl]-1,3,5-triazine
CID 141026493
1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole
CID 141442220
2,3-bis(1H-pyrazol-5-yl)-1H-imidazol-3-ium chloride
CID 142741914
2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole)
CID 157782224
ethane;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;tris(5-methyl-1H-1,2,4-triazole)
CID 158316551
ethane;1-methylimidazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 158451993
6-pentyl-3-pyrimidin-4-yl-9H-[1,2,4]triazolo[3,4-f]purin-5-one;N-pentyl-5-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine
CID 159140826

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine?
The IUPAC name of 3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine (CID 129162520) is 3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine.
What is the SMILES notation for 3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine?
The canonical SMILES for 3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine is c1cc(-c2nnc(-c3ccnn3-c3[nH]ncc3-c3nnc(-c4cn[nH]c4-n4cncc4-c4nnc(-c5cnc[nH]5)nn4)nn3)nn2)[nH]n1.
What is the InChIKey of 3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine?
The InChIKey is QGWGARKONPLHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N24/c1-3-28-32-13(1)19-37-41-21(42-38-19)15-2-4-31-48(15)24-12(6-30-46-24)18-35-33-17(34-36-18)11-5-29-45-23(11)47-10-26-8-16(47)22-43-39-20(40-44-22)14-7-25-9-27-14/h1-10H,(H,25,27)(H,28,32)(H,29,45)(H,30,46).
What are the key properties of 3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine?
3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine has a molecular weight of 638.54 g/mol, XLogP of -0.31, 8 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine is sourced from PubChem (CID 129162520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).