3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine

C20H12N10 — CID 90752440

IUPAC3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine
SMILESc1cnc(-c2c(-c3cnccn3)cnc(-c3nccnn3)c2-c2cccnn2)nc1
InChIInChI=1S/C20H12N10/c1-3-14(29-27-6-1)17-16(19-23-4-2-5-24-19)13(15-12-21-7-8-22-15)11-26-18(17)20-25-9-10-28-30-20/h1-12H
InChIKeyHPGMLLPPJCVNTM-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.30
Rot. Bonds4

About 3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine

3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine (PubChem CID 90752440) has the molecular formula C20H12N10 and a molecular weight of 392.39 g/mol. Its IUPAC name is 3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine
PubChem CID90752440
Molecular FormulaC20H12N10
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC Name3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine
SMILESc1cnc(-c2c(-c3cnccn3)cnc(-c3nccnn3)c2-c2cccnn2)nc1
InChIInChI=1S/C20H12N10/c1-3-14(29-27-6-1)17-16(19-23-4-2-5-24-19)13(15-12-21-7-8-22-15)11-26-18(17)20-25-9-10-28-30-20/h1-12H
InChIKeyHPGMLLPPJCVNTM-UHFFFAOYSA-N
XLogP2.30
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine?
The IUPAC name of 3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine (CID 90752440) is 3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine.
What is the SMILES notation for 3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine?
The canonical SMILES for 3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine is c1cnc(-c2c(-c3cnccn3)cnc(-c3nccnn3)c2-c2cccnn2)nc1.
What is the InChIKey of 3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine?
The InChIKey is HPGMLLPPJCVNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N10/c1-3-14(29-27-6-1)17-16(19-23-4-2-5-24-19)13(15-12-21-7-8-22-15)11-26-18(17)20-25-9-10-28-30-20/h1-12H.
What are the key properties of 3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine?
3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine has a molecular weight of 392.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)-1,2,4-triazine is sourced from PubChem (CID 90752440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).