4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine

C24H16N10O — CID 141175823

IUPAC4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine
SMILESc1ccc(C2(c3ccnnn3)OC(c3ncccn3)=C(c3cnccn3)C2c2cccnn2)nc1
InChIInChI=1S/C24H16N10O/c1-2-8-27-18(6-1)24(19-7-12-31-34-33-19)21(16-5-3-11-30-32-16)20(17-15-25-13-14-26-17)22(35-24)23-28-9-4-10-29-23/h1-15,21H
InChIKeyOERWKJISZVMDJO-UHFFFAOYSA-N
MW460.46 g/mol
LogP2.26
Rot. Bonds5

About 4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine

4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine (PubChem CID 141175823) has the molecular formula C24H16N10O and a molecular weight of 460.46 g/mol. Its IUPAC name is 4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine.

Molecular Properties

Compound Name4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine
PubChem CID141175823
Molecular FormulaC24H16N10O
Molecular Weight460.46 g/mol
Exact Mass460.15
IUPAC Name4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine
SMILESc1ccc(C2(c3ccnnn3)OC(c3ncccn3)=C(c3cnccn3)C2c2cccnn2)nc1
InChIInChI=1S/C24H16N10O/c1-2-8-27-18(6-1)24(19-7-12-31-34-33-19)21(16-5-3-11-30-32-16)20(17-15-25-13-14-26-17)22(35-24)23-28-9-4-10-29-23/h1-15,21H
InChIKeyOERWKJISZVMDJO-UHFFFAOYSA-N
XLogP2.26
TPSA138.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

4-[6,7-Dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
CID 157044893
(2S)-4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
CID 157045279
(2R)-4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
CID 166561524
1-[1-(5-Cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-[2-(methoxymethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridine
CID 68022039
1-[1-(5-Cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-[6-(1-ethoxyethenyl)-2-methyl-3-pyridinyl]pyrazolo[3,4-c]pyridine
CID 68022042
12-(2-Morpholin-4-ylpyrimidin-5-yl)-3-phenyl-4-oxa-1,8,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 122622233
12-(2-Morpholin-4-ylpyrimidin-5-yl)spiro[4-oxa-1,8,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane]
CID 122622635
6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine
CID 141005760
2-(6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-3,6-dihydro-2H-pyran-4-yl)pyrazine
CID 141075803
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
2-[5-(1,3-diazinan-1-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yloxolan-2-yl]pyrazine
CID 141128902
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine?
The IUPAC name of 4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine (CID 141175823) is 4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine.
What is the SMILES notation for 4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine?
The canonical SMILES for 4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine is c1ccc(C2(c3ccnnn3)OC(c3ncccn3)=C(c3cnccn3)C2c2cccnn2)nc1.
What is the InChIKey of 4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine?
The InChIKey is OERWKJISZVMDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N10O/c1-2-8-27-18(6-1)24(19-7-12-31-34-33-19)21(16-5-3-11-30-32-16)20(17-15-25-13-14-26-17)22(35-24)23-28-9-4-10-29-23/h1-15,21H.
What are the key properties of 4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine?
4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine has a molecular weight of 460.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3H-furan-2-yl)triazine is sourced from PubChem (CID 141175823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).