1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine

C3H12N8 — CID 131852318

IUPAC1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine
SMILESNN/C(N)=N/C/N=C(\N)NN
InChIInChI=1S/C3H12N8/c4-2(10-6)8-1-9-3(5)11-7/h1,6-7H2,(H3,4,8,10)(H3,5,9,11)
InChIKeyJGMZOTHSWCQURH-UHFFFAOYSA-N
MW160.19 g/mol
LogP-3.50
Rot. Bonds2

About 1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine

1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine (PubChem CID 131852318) has the molecular formula C3H12N8 and a molecular weight of 160.19 g/mol. Its IUPAC name is 1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine
PubChem CID131852318
Molecular FormulaC3H12N8
Molecular Weight160.19 g/mol
Exact Mass160.12
IUPAC Name1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine
SMILESNN/C(N)=N/C/N=C(\N)NN
InChIInChI=1S/C3H12N8/c4-2(10-6)8-1-9-3(5)11-7/h1,6-7H2,(H3,4,8,10)(H3,5,9,11)
InChIKeyJGMZOTHSWCQURH-UHFFFAOYSA-N
XLogP-3.50
TPSA152.86 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500160.19
LogP ≤ 5-3.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
1-amino-2-(3-aminopropyl)guanidine
CID 130567724
1-amino-2-propylguanidine;hydrochloride
CID 173441996
3-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 10558754
1-amino-2-(cyclohexylmethyl)guanidine
CID 64867312
1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine
CID 15052354
1-amino-2-(pyridin-4-ylmethyl)guanidine
CID 23471425
1-amino-2-(4-methoxybutyl)guanidine
CID 64866664
ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate
CID 64868821
1-amino-2-hex-5-ynylguanidine
CID 106213940
1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine
CID 106148871
1-amino-2-(2,2-dimethylbut-3-enyl)guanidine
CID 130878848

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine?
The IUPAC name of 1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine (CID 131852318) is 1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine.
What is the SMILES notation for 1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine?
The canonical SMILES for 1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine is NN/C(N)=N/C/N=C(\N)NN.
What is the InChIKey of 1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine?
The InChIKey is JGMZOTHSWCQURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N8/c4-2(10-6)8-1-9-3(5)11-7/h1,6-7H2,(H3,4,8,10)(H3,5,9,11).
What are the key properties of 1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine?
1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine has a molecular weight of 160.19 g/mol, XLogP of -3.50, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine is sourced from PubChem (CID 131852318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).