1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine

C6H9N4+ — CID 123219496

IUPAC1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine
SMILES[H]/N=C1/C(=C(C)N)N=C[N+]1=C
InChIInChI=1S/C6H9N4/c1-4(7)5-6(8)10(2)3-9-5/h3,8H,2,7H2,1H3/q+1/b5-4?,8-6-
InChIKeyHDCNZDUEJHKLEI-GFPPLSNOSA-N
MW137.17 g/mol
LogP-0.09
Rot. Bonds

About 1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine

1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine (PubChem CID 123219496) has the molecular formula C6H9N4+ and a molecular weight of 137.17 g/mol. Its IUPAC name is 1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine.

Molecular Properties

Compound Name1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine
PubChem CID123219496
Molecular FormulaC6H9N4+
Molecular Weight137.17 g/mol
Exact Mass137.08
IUPAC Name1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine
SMILES[H]/N=C1/C(=C(C)N)N=C[N+]1=C
InChIInChI=1S/C6H9N4/c1-4(7)5-6(8)10(2)3-9-5/h3,8H,2,7H2,1H3/q+1/b5-4?,8-6-
InChIKeyHDCNZDUEJHKLEI-GFPPLSNOSA-N
XLogP-0.09
TPSA65.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine?
The IUPAC name of 1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine (CID 123219496) is 1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine.
What is the SMILES notation for 1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine?
The canonical SMILES for 1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine is [H]/N=C1/C(=C(C)N)N=C[N+]1=C.
What is the InChIKey of 1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine?
The InChIKey is HDCNZDUEJHKLEI-GFPPLSNOSA-N. The full InChI is InChI=1S/C6H9N4/c1-4(7)5-6(8)10(2)3-9-5/h3,8H,2,7H2,1H3/q+1/b5-4?,8-6-.
What are the key properties of 1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine?
1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine has a molecular weight of 137.17 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-imino-1-methylideneimidazol-1-ium-4-ylidene)ethanamine is sourced from PubChem (CID 123219496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).