1-methanimidoyl-3,5-dimethylpyrazin-2-imine

C7H10N4 — CID 166773725

IUPAC1-methanimidoyl-3,5-dimethylpyrazin-2-imine
SMILES[H]/N=C/n1cc(C)nc(C)/c1=N\[H]
InChIInChI=1S/C7H10N4/c1-5-3-11(4-8)7(9)6(2)10-5/h3-4,8-9H,1-2H3/b8-4+,9-7+
InChIKeyYSMUDGTZMCWZNL-QDJBHUIFSA-N
MW150.19 g/mol
LogP0.43
Rot. Bonds1

About 1-methanimidoyl-3,5-dimethylpyrazin-2-imine

1-methanimidoyl-3,5-dimethylpyrazin-2-imine (PubChem CID 166773725) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is 1-methanimidoyl-3,5-dimethylpyrazin-2-imine.

Molecular Properties

Compound Name1-methanimidoyl-3,5-dimethylpyrazin-2-imine
PubChem CID166773725
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name1-methanimidoyl-3,5-dimethylpyrazin-2-imine
SMILES[H]/N=C/n1cc(C)nc(C)/c1=N\[H]
InChIInChI=1S/C7H10N4/c1-5-3-11(4-8)7(9)6(2)10-5/h3-4,8-9H,1-2H3/b8-4+,9-7+
InChIKeyYSMUDGTZMCWZNL-QDJBHUIFSA-N
XLogP0.43
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.43
H-Bond Donors ≤ 52
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

1-Bromo-3,5-dimethylpyrazin-2-imine
CID 139439126
1-Ethenyl-3,5-dimethylpyrazin-2-imine
CID 139439156
3,6-dimethyl-1-[(Z)-prop-1-enyl]pyrazin-2-imine
CID 141771488
2-imino-N,N,3,6-tetramethylpyrazin-1-amine
CID 153671552
1,3,5-Trimethylpyrazin-2-imine
CID 155073800
1-Ethyl-3,5-dimethylpyrazin-2-imine
CID 163653575
1-Ethyl-5-methylpyrazin-2-imine
CID 166726546
5-Ethyl-1-methanimidoylpyrazin-2-imine
CID 168257724
1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine
CID 170269200
N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide
CID 174329032
1,6-Dimethylpyrazin-2-imine
CID 174677808

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-3,5-dimethylpyrazin-2-imine?
The IUPAC name of 1-methanimidoyl-3,5-dimethylpyrazin-2-imine (CID 166773725) is 1-methanimidoyl-3,5-dimethylpyrazin-2-imine.
What is the SMILES notation for 1-methanimidoyl-3,5-dimethylpyrazin-2-imine?
The canonical SMILES for 1-methanimidoyl-3,5-dimethylpyrazin-2-imine is [H]/N=C/n1cc(C)nc(C)/c1=N\[H].
What is the InChIKey of 1-methanimidoyl-3,5-dimethylpyrazin-2-imine?
The InChIKey is YSMUDGTZMCWZNL-QDJBHUIFSA-N. The full InChI is InChI=1S/C7H10N4/c1-5-3-11(4-8)7(9)6(2)10-5/h3-4,8-9H,1-2H3/b8-4+,9-7+.
What are the key properties of 1-methanimidoyl-3,5-dimethylpyrazin-2-imine?
1-methanimidoyl-3,5-dimethylpyrazin-2-imine has a molecular weight of 150.19 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-3,5-dimethylpyrazin-2-imine is sourced from PubChem (CID 166773725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).