4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine

C28H18N10OS — CID 141313624

IUPAC4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine
SMILESc1ccc(C2(c3ccnnn3)C(c3cccnn3)=C(c3ncccn3)OC2(c2cnccn2)c2cccs2)nc1
InChIInChI=1S/C28H18N10OS/c1-2-10-30-20(7-1)27(21-9-14-35-38-37-21)24(19-6-3-13-34-36-19)25(26-32-11-5-12-33-26)39-28(27,23-8-4-17-40-23)22-18-29-15-16-31-22/h1-18H
InChIKeyLOZBOSGQGIGJEM-UHFFFAOYSA-N
MW542.59 g/mol
LogP3.53
Rot. Bonds6

About 4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine

4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine (PubChem CID 141313624) has the molecular formula C28H18N10OS and a molecular weight of 542.59 g/mol. Its IUPAC name is 4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine.

Molecular Properties

Compound Name4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine
PubChem CID141313624
Molecular FormulaC28H18N10OS
Molecular Weight542.59 g/mol
Exact Mass542.14
IUPAC Name4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine
SMILESc1ccc(C2(c3ccnnn3)C(c3cccnn3)=C(c3ncccn3)OC2(c2cnccn2)c2cccs2)nc1
InChIInChI=1S/C28H18N10OS/c1-2-10-30-20(7-1)27(21-9-14-35-38-37-21)24(19-6-3-13-34-36-19)25(26-32-11-5-12-33-26)39-28(27,23-8-4-17-40-23)22-18-29-15-16-31-22/h1-18H
InChIKeyLOZBOSGQGIGJEM-UHFFFAOYSA-N
XLogP3.53
TPSA138.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.59
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine with MolForge

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Launch Full Analysis

Related Compounds

5-Pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine
CID 140999362
1-(2-Pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-4-quinolin-2-yl-2-thiophen-2-yloxolan-3-yl)isoquinoline
CID 141008279
6-(1,3-Benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine
CID 141054313
4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine
CID 141087437
4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine
CID 141175823
2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine
CID 141344335
1'-(6-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 177883973

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine?
The IUPAC name of 4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine (CID 141313624) is 4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine.
What is the SMILES notation for 4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine?
The canonical SMILES for 4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine is c1ccc(C2(c3ccnnn3)C(c3cccnn3)=C(c3ncccn3)OC2(c2cnccn2)c2cccs2)nc1.
What is the InChIKey of 4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine?
The InChIKey is LOZBOSGQGIGJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N10OS/c1-2-10-30-20(7-1)27(21-9-14-35-38-37-21)24(19-6-3-13-34-36-19)25(26-32-11-5-12-33-26)39-28(27,23-8-4-17-40-23)22-18-29-15-16-31-22/h1-18H.
What are the key properties of 4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine?
4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine has a molecular weight of 542.59 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine is sourced from PubChem (CID 141313624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).