1-methanimidoyl-4-methylpiperazin-2-imine

C6H12N4 — CID 123496488

IUPAC1-methanimidoyl-4-methylpiperazin-2-imine
SMILES[H]/N=C/N1CCN(C)C/C1=N\[H]
InChIInChI=1S/C6H12N4/c1-9-2-3-10(5-7)6(8)4-9/h5,7-8H,2-4H2,1H3/b7-5+,8-6+
InChIKeyPNKJQTGQFIQPMN-KQQUZDAGSA-N
MW140.19 g/mol
LogP-0.18
Rot. Bonds1

About 1-methanimidoyl-4-methylpiperazin-2-imine

1-methanimidoyl-4-methylpiperazin-2-imine (PubChem CID 123496488) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-methanimidoyl-4-methylpiperazin-2-imine.

Molecular Properties

Compound Name1-methanimidoyl-4-methylpiperazin-2-imine
PubChem CID123496488
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-methanimidoyl-4-methylpiperazin-2-imine
SMILES[H]/N=C/N1CCN(C)C/C1=N\[H]
InChIInChI=1S/C6H12N4/c1-9-2-3-10(5-7)6(8)4-9/h5,7-8H,2-4H2,1H3/b7-5+,8-6+
InChIKeyPNKJQTGQFIQPMN-KQQUZDAGSA-N
XLogP-0.18
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.18
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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Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-4-methylpiperazin-2-imine?
The IUPAC name of 1-methanimidoyl-4-methylpiperazin-2-imine (CID 123496488) is 1-methanimidoyl-4-methylpiperazin-2-imine.
What is the SMILES notation for 1-methanimidoyl-4-methylpiperazin-2-imine?
The canonical SMILES for 1-methanimidoyl-4-methylpiperazin-2-imine is [H]/N=C/N1CCN(C)C/C1=N\[H].
What is the InChIKey of 1-methanimidoyl-4-methylpiperazin-2-imine?
The InChIKey is PNKJQTGQFIQPMN-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H12N4/c1-9-2-3-10(5-7)6(8)4-9/h5,7-8H,2-4H2,1H3/b7-5+,8-6+.
What are the key properties of 1-methanimidoyl-4-methylpiperazin-2-imine?
1-methanimidoyl-4-methylpiperazin-2-imine has a molecular weight of 140.19 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-4-methylpiperazin-2-imine is sourced from PubChem (CID 123496488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).