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

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

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Related Compounds

3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
Tt-301
CID 54576073
N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
CID 46742353
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
4-[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032839
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
CID 71007349
3,5,6-Tri(pyridin-2-yl)-1,2,4-triazine
CID 473557
2,4-Bis(5,6-diphenyl-1,2,4-triazine-3-yl)pyridine
CID 118779
Minozac free base
CID 11515480

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).