2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine

C5H12N8 — CID 5351154

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IUPAC2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
SMILESCC(/C=N/N=C(N)N)=N\N=C(N)N
InChIInChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+
InChIKeyMXWHMTNPTTVWDM-NXOFHUPFSA-N
MW184.21 g/mol
LogP-2.11
Rot. Bonds3

About 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine

2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine (PubChem CID 5351154) has the molecular formula C5H12N8 and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
PubChem CID5351154
Molecular FormulaC5H12N8
Molecular Weight184.21 g/mol
Exact Mass184.12
IUPAC Name2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
SMILESCC(/C=N/N=C(N)N)=N\N=C(N)N
InChIInChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+
InChIKeyMXWHMTNPTTVWDM-NXOFHUPFSA-N
XLogP-2.11
TPSA153.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 5-2.11
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

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
Ethylglyoxal bis(guanylhydrazone)
CID 9561662
Trifluoromethylglyoxal-bis(guanylhydrazone)
CID 9577451

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine (CID 5351154) is 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine is CC(/C=N/N=C(N)N)=N\N=C(N)N.
What is the InChIKey of 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine?
The InChIKey is MXWHMTNPTTVWDM-NXOFHUPFSA-N. The full InChI is InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+.
What are the key properties of 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine?
2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine has a molecular weight of 184.21 g/mol, XLogP of -2.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine is sourced from PubChem (CID 5351154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).