2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine

C8H12N8O — CID 140931988

IUPAC2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(C=NN=C(N)N)o1
InChIInChI=1S/C8H12N8O/c9-7(10)15-13-3-5-1-2-6(17-5)4-14-16-8(11)12/h1-4H,(H4,9,10,15)(H4,11,12,16)
InChIKeyUKWMVUXDAMAHFJ-UHFFFAOYSA-N
MW236.24 g/mol
LogP-1.51
Rot. Bonds4

About 2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine

2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine (PubChem CID 140931988) has the molecular formula C8H12N8O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine
PubChem CID140931988
Molecular FormulaC8H12N8O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(C=NN=C(N)N)o1
InChIInChI=1S/C8H12N8O/c9-7(10)15-13-3-5-1-2-6(17-5)4-14-16-8(11)12/h1-4H,(H4,9,10,15)(H4,11,12,16)
InChIKeyUKWMVUXDAMAHFJ-UHFFFAOYSA-N
XLogP-1.51
TPSA166.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine?
The IUPAC name of 2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine (CID 140931988) is 2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc(C=NN=C(N)N)o1.
What is the InChIKey of 2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine?
The InChIKey is UKWMVUXDAMAHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8O/c9-7(10)15-13-3-5-1-2-6(17-5)4-14-16-8(11)12/h1-4H,(H4,9,10,15)(H4,11,12,16).
What are the key properties of 2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine?
2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine has a molecular weight of 236.24 g/mol, XLogP of -1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]methylideneamino]guanidine is sourced from PubChem (CID 140931988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).