6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one

C21H19N7O — CID 69331931

IUPAC6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2nc(NCc3ccccn3)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C21H19N7O/c1-28-17(29)11-10-16(27-28)19-18(14-7-3-2-4-8-14)25-20(22)21(26-19)24-13-15-9-5-6-12-23-15/h2-12H,13H2,1H3,(H2,22,25)(H,24,26)
InChIKeyMZHCRBOAVVWUBN-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.49
Rot. Bonds5

About 6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one

6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one (PubChem CID 69331931) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one
PubChem CID69331931
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2nc(NCc3ccccn3)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C21H19N7O/c1-28-17(29)11-10-16(27-28)19-18(14-7-3-2-4-8-14)25-20(22)21(26-19)24-13-15-9-5-6-12-23-15/h2-12H,13H2,1H3,(H2,22,25)(H,24,26)
InChIKeyMZHCRBOAVVWUBN-UHFFFAOYSA-N
XLogP2.49
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one
CID 86074880
1-methyl-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-diamine
CID 103077877
2-methyl-6-(4-phenylphenyl)pyridazin-3-one
CID 57150273
6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one
CID 69331882
5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 69103594
6-(5-amino-6-iodo-3-phenylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one
CID 87787105
1,3-dimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43554069
4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667746
6-methyl-2-N-(pyridin-2-ylmethyl)pyridine-2,3-diamine
CID 81132178
3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
CID 42285555
3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile
CID 69331459
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine
CID 137431300

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one (CID 69331931) is 6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one is Cn1nc(-c2nc(NCc3ccccn3)c(N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one?
The InChIKey is MZHCRBOAVVWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-28-17(29)11-10-16(27-28)19-18(14-7-3-2-4-8-14)25-20(22)21(26-19)24-13-15-9-5-6-12-23-15/h2-12H,13H2,1H3,(H2,22,25)(H,24,26).
What are the key properties of 6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one?
6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one has a molecular weight of 385.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-3-phenyl-6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 69331931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).