3,6-dimethylpyrazine-2-carboximidamide;hydrochloride

C7H11ClN4 — CID 122129858

IUPAC3,6-dimethylpyrazine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nc(C)cnc1C
InChIInChI=1S/C7H10N4.ClH/c1-4-3-10-5(2)6(11-4)7(8)9;/h3H,1-2H3,(H3,8,9);1H
InChIKeyIYORWDGDBVPJMH-UHFFFAOYSA-N
MW186.65 g/mol
LogP0.80
Rot. Bonds1

About 3,6-dimethylpyrazine-2-carboximidamide;hydrochloride

3,6-dimethylpyrazine-2-carboximidamide;hydrochloride (PubChem CID 122129858) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 3,6-dimethylpyrazine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3,6-dimethylpyrazine-2-carboximidamide;hydrochloride
PubChem CID122129858
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name3,6-dimethylpyrazine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nc(C)cnc1C
InChIInChI=1S/C7H10N4.ClH/c1-4-3-10-5(2)6(11-4)7(8)9;/h3H,1-2H3,(H3,8,9);1H
InChIKeyIYORWDGDBVPJMH-UHFFFAOYSA-N
XLogP0.80
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3,5-dimethylpyridine-2-carboximidamide
CID 112703746
3-methylisoquinoline-1-carboximidamide
CID 82573405
3-(1-ethoxyethenyl)-2,5-dimethylpyrazine
CID 169267308
5-bromo-6-methylpyridine-3-carboximidamide
CID 83886236
1-(3,5-dimethylpyrazin-2-yl)ethenamine
CID 145200965
3,5-diiodopyridine-2-carboximidamide;hydrochloride
CID 133057044
2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide
CID 83878076
4-methoxy-6-methylpyrimidine-2-carboximidamide;hydrochloride
CID 122460829
4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride
CID 133054142
3-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboximidamide
CID 62684726
2,5-dimethylpyrazine;2,3,5-trimethylpyrazine
CID 69044023
4-methoxy-2,6-dimethylpyridine-3-carboximidamide
CID 81052054

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylpyrazine-2-carboximidamide;hydrochloride?
The IUPAC name of 3,6-dimethylpyrazine-2-carboximidamide;hydrochloride (CID 122129858) is 3,6-dimethylpyrazine-2-carboximidamide;hydrochloride.
What is the SMILES notation for 3,6-dimethylpyrazine-2-carboximidamide;hydrochloride?
The canonical SMILES for 3,6-dimethylpyrazine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1nc(C)cnc1C.
What is the InChIKey of 3,6-dimethylpyrazine-2-carboximidamide;hydrochloride?
The InChIKey is IYORWDGDBVPJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4.ClH/c1-4-3-10-5(2)6(11-4)7(8)9;/h3H,1-2H3,(H3,8,9);1H.
What are the key properties of 3,6-dimethylpyrazine-2-carboximidamide;hydrochloride?
3,6-dimethylpyrazine-2-carboximidamide;hydrochloride has a molecular weight of 186.65 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylpyrazine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 122129858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).