2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine

C5H12N8 — CID 9991

IUPAC2-[1-(diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine
SMILESCC(=NN=C(N)N)C=NN=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)
InChIKeyMXWHMTNPTTVWDM-UHFFFAOYSA-N
MW184.20 g/mol
LogP-2.20
Rot. Bonds3

About 2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine

2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine (PubChem CID 9991) has the molecular formula C5H12N8 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-[1-(diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine
PubChem CID9991
Molecular FormulaC5H12N8
Molecular Weight184.20 g/mol
Exact Mass184.12
IUPAC Name2-[1-(diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine
SMILESCC(=NN=C(N)N)C=NN=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)
InChIKeyMXWHMTNPTTVWDM-UHFFFAOYSA-N
XLogP-2.20
TPSA154.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity264

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-2.20
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;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-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine?
The IUPAC name of 2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine (CID 9991) is 2-[1-(diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine.
What is the SMILES notation for 2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine?
The canonical SMILES for 2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine is CC(=NN=C(N)N)C=NN=C(N)N.
What is the InChIKey of 2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine?
The InChIKey is MXWHMTNPTTVWDM-UHFFFAOYSA-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).
What are the key properties of 2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine?
2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine has a molecular weight of 184.20 g/mol, XLogP of -2.20, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(Diaminomethylidenehydrazinylidene)propan-2-ylideneamino]guanidine is sourced from PubChem (CID 9991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).