N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine

C6H9N3 — CID 136596177

IUPACN-methyl-3-methylidene-1,4-dihydropyrazin-2-imine
SMILESC=C1NC=CN/C1=N\C
InChIInChI=1S/C6H9N3/c1-5-6(7-2)9-4-3-8-5/h3-4,8H,1H2,2H3,(H,7,9)
InChIKeyVZJSPLSJERUBTF-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.19
Rot. Bonds

About N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine

N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine (PubChem CID 136596177) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1,4-dihydropyrazin-2-imine
PubChem CID136596177
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-methyl-3-methylidene-1,4-dihydropyrazin-2-imine
SMILESC=C1NC=CN/C1=N\C
InChIInChI=1S/C6H9N3/c1-5-6(7-2)9-4-3-8-5/h3-4,8H,1H2,2H3,(H,7,9)
InChIKeyVZJSPLSJERUBTF-UHFFFAOYSA-N
XLogP0.19
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine?
The IUPAC name of N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine (CID 136596177) is N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine.
What is the SMILES notation for N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine?
The canonical SMILES for N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine is C=C1NC=CN/C1=N\C.
What is the InChIKey of N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine?
The InChIKey is VZJSPLSJERUBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-6(7-2)9-4-3-8-5/h3-4,8H,1H2,2H3,(H,7,9).
What are the key properties of N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine?
N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine has a molecular weight of 123.16 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine is sourced from PubChem (CID 136596177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).