6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one

C11H12N4O — CID 172942188

IUPAC6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one
SMILESCC1=NCC(=O)N(/N=C/c2cccnc2)C1
InChIInChI=1S/C11H12N4O/c1-9-8-15(11(16)7-13-9)14-6-10-3-2-4-12-5-10/h2-6H,7-8H2,1H3/b14-6+
InChIKeyQYNAQYBYKKQTFZ-MKMNVTDBSA-N
MW216.24 g/mol
LogP0.72
Rot. Bonds2

About 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one

6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one (PubChem CID 172942188) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one.

Molecular Properties

Compound Name6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one
PubChem CID172942188
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one
SMILESCC1=NCC(=O)N(/N=C/c2cccnc2)C1
InChIInChI=1S/C11H12N4O/c1-9-8-15(11(16)7-13-9)14-6-10-3-2-4-12-5-10/h2-6H,7-8H2,1H3/b14-6+
InChIKeyQYNAQYBYKKQTFZ-MKMNVTDBSA-N
XLogP0.72
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-[(Z)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 6035169
N-(6-methyl-5H-1,2,4-triazin-4-yl)-1-pyridin-3-ylmethanimine
CID 91129434
6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 19350746
1-acetyl-3-[(E)-pyridin-3-ylmethylideneamino]-4H-quinazolin-2-one
CID 23110909
5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 165363549
5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one
CID 19350745
3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2731306
1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 660525
4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 88537474
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one
CID 54354310
N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine
CID 786981

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one?
The IUPAC name of 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one (CID 172942188) is 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one.
What is the SMILES notation for 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one?
The canonical SMILES for 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one is CC1=NCC(=O)N(/N=C/c2cccnc2)C1.
What is the InChIKey of 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one?
The InChIKey is QYNAQYBYKKQTFZ-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H12N4O/c1-9-8-15(11(16)7-13-9)14-6-10-3-2-4-12-5-10/h2-6H,7-8H2,1H3/b14-6+.
What are the key properties of 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one?
6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one has a molecular weight of 216.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one is sourced from PubChem (CID 172942188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).