N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide

C15H16N8O — CID 66604103

IUPACN'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide
SMILES[H]/N=C/N=C(\N)c1cc(C)c(-c2cnc3c(n2)N(C)C(=O)CN3)cn1
InChIInChI=1S/C15H16N8O/c1-8-3-10(13(17)21-7-16)18-4-9(8)11-5-19-14-15(22-11)23(2)12(24)6-20-14/h3-5,7H,6H2,1-2H3,(H,19,20)(H3,16,17,21)
InChIKeyWBZAWDIYWGLXLN-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.55
Rot. Bonds3

About N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide

N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide (PubChem CID 66604103) has the molecular formula C15H16N8O and a molecular weight of 324.35 g/mol. Its IUPAC name is N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide
PubChem CID66604103
Molecular FormulaC15H16N8O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC NameN'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide
SMILES[H]/N=C/N=C(\N)c1cc(C)c(-c2cnc3c(n2)N(C)C(=O)CN3)cn1
InChIInChI=1S/C15H16N8O/c1-8-3-10(13(17)21-7-16)18-4-9(8)11-5-19-14-15(22-11)23(2)12(24)6-20-14/h3-5,7H,6H2,1-2H3,(H,19,20)(H3,16,17,21)
InChIKeyWBZAWDIYWGLXLN-UHFFFAOYSA-N
XLogP0.55
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboxamide
CID 66604018
cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol
CID 159260556
5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
CID 66608109
2,8-dimethyl-5,6-dihydropteridin-7-one
CID 121388812
5-cyclohexyl-3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66604035
4-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]-N'-methanimidoylbenzenecarboximidamide
CID 143437608
N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide
CID 168885440
3-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 149359945
5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;hydrochloride
CID 67153895
3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 172739416
ethene;5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 144947864
2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide
CID 123233690

Frequently Asked Questions

What is the IUPAC name of N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide?
The IUPAC name of N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide (CID 66604103) is N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide?
The canonical SMILES for N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide is [H]/N=C/N=C(\N)c1cc(C)c(-c2cnc3c(n2)N(C)C(=O)CN3)cn1.
What is the InChIKey of N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide?
The InChIKey is WBZAWDIYWGLXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O/c1-8-3-10(13(17)21-7-16)18-4-9(8)11-5-19-14-15(22-11)23(2)12(24)6-20-14/h3-5,7H,6H2,1-2H3,(H,19,20)(H3,16,17,21).
What are the key properties of N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide?
N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide has a molecular weight of 324.35 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 66604103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).