2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine

C10H14N8 — CID 10105958

IUPAC2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cccc(/C=N/N=C(N)N)c1
InChIInChI=1S/C10H14N8/c11-9(12)17-15-5-7-2-1-3-8(4-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/b15-5+,16-6+
InChIKeyXMHHBYPIBVIERY-IAGONARPSA-N
MW246.28 g/mol
LogP-1.10
Rot. Bonds4

About 2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine

2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine (PubChem CID 10105958) has the molecular formula C10H14N8 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
PubChem CID10105958
Molecular FormulaC10H14N8
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cccc(/C=N/N=C(N)N)c1
InChIInChI=1S/C10H14N8/c11-9(12)17-15-5-7-2-1-3-8(4-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/b15-5+,16-6+
InChIKeyXMHHBYPIBVIERY-IAGONARPSA-N
XLogP-1.10
TPSA153.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-1.10
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine (CID 10105958) is 2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine is NC(N)=N/N=C/c1cccc(/C=N/N=C(N)N)c1.
What is the InChIKey of 2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine?
The InChIKey is XMHHBYPIBVIERY-IAGONARPSA-N. The full InChI is InChI=1S/C10H14N8/c11-9(12)17-15-5-7-2-1-3-8(4-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/b15-5+,16-6+.
What are the key properties of 2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine?
2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine has a molecular weight of 246.28 g/mol, XLogP of -1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 10105958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).