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

C24H19N19 — CID 141026493

IUPAC2-[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
SMILESc1cnc(-c2n[nH]c(C3(c4cccnn4)N(c4ncncn4)N(c4ccc[nH]4)N(c4ccn[nH]4)N3c3ncc[nH]3)n2)nc1
InChIInChI=1S/C24H19N19/c1-4-16(36-33-10-1)24(21-35-20(38-39-21)19-27-8-3-9-28-19)40(22-29-12-13-30-22)43(18-6-11-34-37-18)42(17-5-2-7-26-17)41(24)23-31-14-25-15-32-23/h1-15,26H,(H,29,30)(H,34,37)(H,35,38,39)
InChIKeyDBTIZWVYZYWETB-UHFFFAOYSA-N
MW573.55 g/mol
LogP1.00
Rot. Bonds7

About 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

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 (PubChem CID 141026493) has the molecular formula C24H19N19 and a molecular weight of 573.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141026493
Molecular FormulaC24H19N19
Molecular Weight573.55 g/mol
Exact Mass573.21
IUPAC Name2-[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
SMILESc1cnc(-c2n[nH]c(C3(c4cccnn4)N(c4ncncn4)N(c4ccc[nH]4)N(c4ccn[nH]4)N3c3ncc[nH]3)n2)nc1
InChIInChI=1S/C24H19N19/c1-4-16(36-33-10-1)24(21-35-20(38-39-21)19-27-8-3-9-28-19)40(22-29-12-13-30-22)43(18-6-11-34-37-18)42(17-5-2-7-26-17)41(24)23-31-14-25-15-32-23/h1-15,26H,(H,29,30)(H,34,37)(H,35,38,39)
InChIKeyDBTIZWVYZYWETB-UHFFFAOYSA-N
XLogP1.00
TPSA217.91 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.55
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-N-(1h-Pyrazol-5-Yl)imidazo[1,2-A]pyridin-2-Amine
CID 49835055
3-[2-Methyl-6-(Pyrazin-2-Ylamino)pyrimidin-4-Yl]-N-(1h-Pyrazol-3-Yl)imidazo[1,2-B]pyridazin-2-Amine
CID 62706651
3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-3-yl)imidazo(1,2-b)pyridazin-2-amine
CID 49835107
N-(5-methyl-1H-pyrazol-3-yl)-2-(piperazin-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 53319638
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine
CID 62706154
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyridin-3-ylimidazo[1,2-a]pyridin-2-amine
CID 62706155
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methyl-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706156
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methyl-4-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706312
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
CID 62706313
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(4-methylpyrimidin-5-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706314
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methylimidazol-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706316
3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706472

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cnc(-c2n[nH]c(C3(c4cccnn4)N(c4ncncn4)N(c4ccc[nH]4)N(c4ccn[nH]4)N3c3ncc[nH]3)n2)nc1.
What is the InChIKey of 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?
The InChIKey is DBTIZWVYZYWETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N19/c1-4-16(36-33-10-1)24(21-35-20(38-39-21)19-27-8-3-9-28-19)40(22-29-12-13-30-22)43(18-6-11-34-37-18)42(17-5-2-7-26-17)41(24)23-31-14-25-15-32-23/h1-15,26H,(H,29,30)(H,34,37)(H,35,38,39).
What are the key properties of 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?
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 has a molecular weight of 573.55 g/mol, XLogP of 1.00, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141026493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).