2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine

C6H10N8 — CID 54563933

IUPAC2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine
SMILESCC(N=C(N)NC#N)N=C(N)NC#N
InChIInChI=1S/C6H10N8/c1-4(13-5(9)11-2-7)14-6(10)12-3-8/h4H,1H3,(H3,9,11,13)(H3,10,12,14)
InChIKeyZSNAYMIYEGCAAQ-UHFFFAOYSA-N
MW194.20 g/mol
LogP-1.90
Rot. Bonds2

About 2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine

2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine (PubChem CID 54563933) has the molecular formula C6H10N8 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine.

Molecular Properties

Compound Name2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine
PubChem CID54563933
Molecular FormulaC6H10N8
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine
SMILESCC(N=C(N)NC#N)N=C(N)NC#N
InChIInChI=1S/C6H10N8/c1-4(13-5(9)11-2-7)14-6(10)12-3-8/h4H,1H3,(H3,9,11,13)(H3,10,12,14)
InChIKeyZSNAYMIYEGCAAQ-UHFFFAOYSA-N
XLogP-1.90
TPSA148.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine?
The IUPAC name of 2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine (CID 54563933) is 2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine.
What is the SMILES notation for 2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine?
The canonical SMILES for 2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine is CC(N=C(N)NC#N)N=C(N)NC#N.
What is the InChIKey of 2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine?
The InChIKey is ZSNAYMIYEGCAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N8/c1-4(13-5(9)11-2-7)14-6(10)12-3-8/h4H,1H3,(H3,9,11,13)(H3,10,12,14).
What are the key properties of 2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine?
2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine has a molecular weight of 194.20 g/mol, XLogP of -1.90, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[amino-(cyanoamino)methylidene]amino]ethyl]-1-cyanoguanidine is sourced from PubChem (CID 54563933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).