2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide

C12H13N5O — CID 114570784

IUPAC2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)c1ncc[nH]c1=O
InChIInChI=1S/C12H13N5O/c1-17(11-12(18)16-7-6-15-11)9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H3,13,14)(H,16,18)
InChIKeySLXXOEJKKHKXQI-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.82
Rot. Bonds3

About 2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide

2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide (PubChem CID 114570784) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide
PubChem CID114570784
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)c1ncc[nH]c1=O
InChIInChI=1S/C12H13N5O/c1-17(11-12(18)16-7-6-15-11)9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H3,13,14)(H,16,18)
InChIKeySLXXOEJKKHKXQI-UHFFFAOYSA-N
XLogP0.82
TPSA98.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide
CID 114570768
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 103582344
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 136971682
2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboximidamide
CID 55227687
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512
2-(dibenzylamino)pyridine-3-carboximidamide
CID 130157138
2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide
CID 43823181

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide?
The IUPAC name of 2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide (CID 114570784) is 2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide?
The canonical SMILES for 2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(C)c1ncc[nH]c1=O.
What is the InChIKey of 2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide?
The InChIKey is SLXXOEJKKHKXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-17(11-12(18)16-7-6-15-11)9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H3,13,14)(H,16,18).
What are the key properties of 2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide?
2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide has a molecular weight of 243.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 114570784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).