2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine

C22H16N12 — CID 141336718

IUPAC2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine
SMILESc1ccc(N2N(c3ncccn3)C(c3cnccn3)=C(c3cccnn3)N2c2ccn[nH]2)nc1
InChIInChI=1S/C22H16N12/c1-2-8-25-18(6-1)34-32(19-7-12-29-31-19)20(16-5-3-11-28-30-16)21(17-15-23-13-14-24-17)33(34)22-26-9-4-10-27-22/h1-15H,(H,29,31)
InChIKeyIUETTYGICOHGEX-UHFFFAOYSA-N
MW448.45 g/mol
LogP2.36
Rot. Bonds5

About 2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine

2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine (PubChem CID 141336718) has the molecular formula C22H16N12 and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine.

Molecular Properties

Compound Name2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine
PubChem CID141336718
Molecular FormulaC22H16N12
Molecular Weight448.45 g/mol
Exact Mass448.16
IUPAC Name2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine
SMILESc1ccc(N2N(c3ncccn3)C(c3cnccn3)=C(c3cccnn3)N2c2ccn[nH]2)nc1
InChIInChI=1S/C22H16N12/c1-2-8-25-18(6-1)34-32(19-7-12-29-31-19)20(16-5-3-11-28-30-16)21(17-15-23-13-14-24-17)33(34)22-26-9-4-10-27-22/h1-15H,(H,29,31)
InChIKeyIUETTYGICOHGEX-UHFFFAOYSA-N
XLogP2.36
TPSA128.63 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine
CID 141122516
2-(1H-pyrazol-5-yl)pyrazine
CID 15865548
2-[1-(1H-pyrazol-5-yl)triazol-4-yl]pyridine
CID 118591414
2-(5-pyridazin-3-yl-4-pyrimidin-2-yl-3-pyridinyl)pyrazine
CID 91297006
3-(1H-pyrazol-5-yl)-2-pyridin-2-ylpyridine
CID 66632905
2-(2-pyridin-2-ylphenyl)pyrazine
CID 91494990
2-pyrazin-2-yl-6-pyridin-2-ylpyrazine
CID 174709673
2-(4-pyrazin-2-yl-2,5-dipyridin-2-yl-1H-pyrrol-3-yl)pyrazine
CID 10499814
6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2,3-benzoxadiazole
CID 141150934
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyrazin-2-yl-4-pyridin-2-ylpyrimidine
CID 141116052
3-pyridazin-3-yl-4-pyridin-2-ylpyridazine
CID 68868230

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine?
The IUPAC name of 2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine (CID 141336718) is 2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine.
What is the SMILES notation for 2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine?
The canonical SMILES for 2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine is c1ccc(N2N(c3ncccn3)C(c3cnccn3)=C(c3cccnn3)N2c2ccn[nH]2)nc1.
What is the InChIKey of 2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine?
The InChIKey is IUETTYGICOHGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N12/c1-2-8-25-18(6-1)34-32(19-7-12-29-31-19)20(16-5-3-11-28-30-16)21(17-15-23-13-14-24-17)33(34)22-26-9-4-10-27-22/h1-15H,(H,29,31).
What are the key properties of 2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine?
2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine has a molecular weight of 448.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yltriazol-4-yl]pyrazine is sourced from PubChem (CID 141336718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).