1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine

C6H13N4+ — CID 143834206

IUPAC1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine
SMILES[H]/N=C/[N+]1=C(N)CN(C)CC1
InChIInChI=1S/C6H12N4/c1-9-2-3-10(5-7)6(8)4-9/h5,7-8H,2-4H2,1H3/p+1/b7-5+
InChIKeyPNKJQTGQFIQPMN-FNORWQNLSA-O
MW141.20 g/mol
LogP-1.09
Rot. Bonds1

About 1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine

1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine (PubChem CID 143834206) has the molecular formula C6H13N4+ and a molecular weight of 141.20 g/mol. Its IUPAC name is 1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine.

Molecular Properties

Compound Name1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine
PubChem CID143834206
Molecular FormulaC6H13N4+
Molecular Weight141.20 g/mol
Exact Mass141.11
IUPAC Name1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine
SMILES[H]/N=C/[N+]1=C(N)CN(C)CC1
InChIInChI=1S/C6H12N4/c1-9-2-3-10(5-7)6(8)4-9/h5,7-8H,2-4H2,1H3/p+1/b7-5+
InChIKeyPNKJQTGQFIQPMN-FNORWQNLSA-O
XLogP-1.09
TPSA56.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 5-1.09
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine?
The IUPAC name of 1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine (CID 143834206) is 1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine.
What is the SMILES notation for 1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine?
The canonical SMILES for 1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine is [H]/N=C/[N+]1=C(N)CN(C)CC1.
What is the InChIKey of 1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine?
The InChIKey is PNKJQTGQFIQPMN-FNORWQNLSA-O. The full InChI is InChI=1S/C6H12N4/c1-9-2-3-10(5-7)6(8)4-9/h5,7-8H,2-4H2,1H3/p+1/b7-5+.
What are the key properties of 1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine?
1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine has a molecular weight of 141.20 g/mol, XLogP of -1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-4-methyl-3,5-dihydro-2H-pyrazin-1-ium-6-amine is sourced from PubChem (CID 143834206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).