6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine

C20H14N10 — CID 141122516

IUPAC6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine
SMILESc1ccc(N2NN=C(c3cccnn3)C(c3ncccn3)=C2c2cnccn2)nc1
InChIInChI=1S/C20H14N10/c1-2-7-23-16(6-1)30-19(15-13-21-11-12-22-15)17(20-24-8-4-9-25-20)18(28-29-30)14-5-3-10-26-27-14/h1-13,29H
InChIKeyZVQJCBCMEHOHPZ-UHFFFAOYSA-N
MW394.40 g/mol
LogP1.75
Rot. Bonds4

About 6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine

6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine (PubChem CID 141122516) has the molecular formula C20H14N10 and a molecular weight of 394.40 g/mol. Its IUPAC name is 6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine.

Molecular Properties

Compound Name6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine
PubChem CID141122516
Molecular FormulaC20H14N10
Molecular Weight394.40 g/mol
Exact Mass394.14
IUPAC Name6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine
SMILESc1ccc(N2NN=C(c3cccnn3)C(c3ncccn3)=C2c2cnccn2)nc1
InChIInChI=1S/C20H14N10/c1-2-7-23-16(6-1)30-19(15-13-21-11-12-22-15)17(20-24-8-4-9-25-20)18(28-29-30)14-5-3-10-26-27-14/h1-13,29H
InChIKeyZVQJCBCMEHOHPZ-UHFFFAOYSA-N
XLogP1.75
TPSA117.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine?
The IUPAC name of 6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine (CID 141122516) is 6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine.
What is the SMILES notation for 6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine?
The canonical SMILES for 6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine is c1ccc(N2NN=C(c3cccnn3)C(c3ncccn3)=C2c2cnccn2)nc1.
What is the InChIKey of 6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine?
The InChIKey is ZVQJCBCMEHOHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N10/c1-2-7-23-16(6-1)30-19(15-13-21-11-12-22-15)17(20-24-8-4-9-25-20)18(28-29-30)14-5-3-10-26-27-14/h1-13,29H.
What are the key properties of 6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine?
6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine has a molecular weight of 394.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2H-triazine is sourced from PubChem (CID 141122516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).