1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine

C19H15N9 — CID 127033482

IUPAC1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
SMILESN/C(=N\N=C\c1cnc2ccccc2n1)N/N=C/c1cnc2ccccc2n1
InChIInChI=1S/C19H15N9/c20-19(27-23-11-13-9-21-15-5-1-3-7-17(15)25-13)28-24-12-14-10-22-16-6-2-4-8-18(16)26-14/h1-12H,(H3,20,27,28)/b23-11+,24-12+
InChIKeyILKLADJRNVNQEM-ASIDMNOUSA-N
MW369.39 g/mol
LogP1.85
Rot. Bonds4

About 1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine

1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine (PubChem CID 127033482) has the molecular formula C19H15N9 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
PubChem CID127033482
Molecular FormulaC19H15N9
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine
SMILESN/C(=N\N=C\c1cnc2ccccc2n1)N/N=C/c1cnc2ccccc2n1
InChIInChI=1S/C19H15N9/c20-19(27-23-11-13-9-21-15-5-1-3-7-17(15)25-13)28-24-12-14-10-22-16-6-2-4-8-18(16)26-14/h1-12H,(H3,20,27,28)/b23-11+,24-12+
InChIKeyILKLADJRNVNQEM-ASIDMNOUSA-N
XLogP1.85
TPSA126.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine (CID 127033482) is 1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine is N/C(=N\N=C\c1cnc2ccccc2n1)N/N=C/c1cnc2ccccc2n1.
What is the InChIKey of 1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine?
The InChIKey is ILKLADJRNVNQEM-ASIDMNOUSA-N. The full InChI is InChI=1S/C19H15N9/c20-19(27-23-11-13-9-21-15-5-1-3-7-17(15)25-13)28-24-12-14-10-22-16-6-2-4-8-18(16)26-14/h1-12H,(H3,20,27,28)/b23-11+,24-12+.
What are the key properties of 1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine?
1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine has a molecular weight of 369.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-quinoxalin-2-ylmethylideneamino]guanidine is sourced from PubChem (CID 127033482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).