Ethylglyoxal bis(guanylhydrazone)

C6H14N8 — CID 9561662

IUPAC2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine
SMILESCC/C(=N\N=C(N)N)/C=N/N=C(N)N
InChIInChI=1S/C6H14N8/c1-2-4(12-14-6(9)10)3-11-13-5(7)8/h3H,2H2,1H3,(H4,7,8,13)(H4,9,10,14)/b11-3+,12-4+
InChIKeyDDNVYHHARMNUBE-HMMKTVFPSA-N
MW198.23 g/mol
LogP-1.70
Rot. Bonds4

About Ethylglyoxal bis(guanylhydrazone)

Ethylglyoxal bis(guanylhydrazone) (PubChem CID 9561662) has the molecular formula C6H14N8 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine.

Molecular Properties

Compound NameEthylglyoxal bis(guanylhydrazone)
PubChem CID9561662
Molecular FormulaC6H14N8
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC Name2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine
SMILESCC/C(=N\N=C(N)N)/C=N/N=C(N)N
InChIInChI=1S/C6H14N8/c1-2-4(12-14-6(9)10)3-11-13-5(7)8/h3H,2H2,1H3,(H4,7,8,13)(H4,9,10,14)/b11-3+,12-4+
InChIKeyDDNVYHHARMNUBE-HMMKTVFPSA-N
XLogP-1.70
TPSA154.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity278

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

Mitoguazone
CID 5351154
Methylglyoxal bis-(guanylhydrazone)
CID 9566040
Methyl glyoxal bis(amidinohydrazone) dihydrochloride
CID 54598306
Hydrazinecarboximidamide, 2,2'-(1-propyl-1,2-ethanediylidene)bis-
CID 9569751
Dimethylglyoxal bis(guanylhydrazone)
CID 6332627
Guanidine, 1,1'-((methylethanediylidene)dinitrilo)di-, dihydrochloride
CID 76969019
Malonaldehyde-bis-guanylhydrazone
CID 9561671
2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine;hydrochloride
CID 54605865
2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine
CID 9991
2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine;dihydrochloride
CID 23469
2-[1-(Diaminomethylidenehydrazinylidene)butan-2-ylideneamino]guanidine
CID 151965
Trifluoromethylglyoxal-bis(guanylhydrazone)
CID 9577451

Frequently Asked Questions

What is the IUPAC name of Ethylglyoxal bis(guanylhydrazone)?
The IUPAC name of Ethylglyoxal bis(guanylhydrazone) (CID 9561662) is 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine.
What is the SMILES notation for Ethylglyoxal bis(guanylhydrazone)?
The canonical SMILES for Ethylglyoxal bis(guanylhydrazone) is CC/C(=N\N=C(N)N)/C=N/N=C(N)N.
What is the InChIKey of Ethylglyoxal bis(guanylhydrazone)?
The InChIKey is DDNVYHHARMNUBE-HMMKTVFPSA-N. The full InChI is InChI=1S/C6H14N8/c1-2-4(12-14-6(9)10)3-11-13-5(7)8/h3H,2H2,1H3,(H4,7,8,13)(H4,9,10,14)/b11-3+,12-4+.
What are the key properties of Ethylglyoxal bis(guanylhydrazone)?
Ethylglyoxal bis(guanylhydrazone) has a molecular weight of 198.23 g/mol, XLogP of -1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethylglyoxal bis(guanylhydrazone) is sourced from PubChem (CID 9561662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).