benzene;2-cyanoguanidine

C8H10N4 — CID 174939273

IUPACbenzene;2-cyanoguanidine
SMILESN#CN=C(N)N.c1ccccc1
InChIInChI=1S/C6H6.C2H4N4/c1-2-4-6-5-3-1;3-1-6-2(4)5/h1-6H;(H4,4,5,6)
InChIKeyGLESGWGDQVEKEU-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.43
Rot. Bonds

About benzene;2-cyanoguanidine

benzene;2-cyanoguanidine (PubChem CID 174939273) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is benzene;2-cyanoguanidine.

Molecular Properties

Compound Namebenzene;2-cyanoguanidine
PubChem CID174939273
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Namebenzene;2-cyanoguanidine
SMILESN#CN=C(N)N.c1ccccc1
InChIInChI=1S/C6H6.C2H4N4/c1-2-4-6-5-3-1;3-1-6-2(4)5/h1-6H;(H4,4,5,6)
InChIKeyGLESGWGDQVEKEU-UHFFFAOYSA-N
XLogP0.43
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((15N)azanylidyne(113C)methyl)(13C)guanidine
CID 172880658
CID 87768298
CID 87768298
azane;2-cyanoguanidine
CID 21470607
bis(2-cyanoguanidine);cyclohexane
CID 23431649
disilver;tetrakis(2-cyanoguanidine);ditetrafluoroborate
CID 139047796
N'-cyanobenzenecarboximidamide;hydrochloride
CID 75485318
2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine
CID 129057148
2-cyano-1-[(N'-cyanocarbamimidoyl)amino]guanidine
CID 91179638
sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate
CID 23674220
methyl N'-cyanocarbamimidate
CID 15646036
pentacalcium;carbanide;carbon dioxide;2-cyanoguanidine;hydroxymethanone;methane;molecular nitrogen;pentahydroxide;triiodide
CID 176535529
N'-cyanopyrazole-1-carboximidamide
CID 102043998

Frequently Asked Questions

What is the IUPAC name of benzene;2-cyanoguanidine?
The IUPAC name of benzene;2-cyanoguanidine (CID 174939273) is benzene;2-cyanoguanidine.
What is the SMILES notation for benzene;2-cyanoguanidine?
The canonical SMILES for benzene;2-cyanoguanidine is N#CN=C(N)N.c1ccccc1.
What is the InChIKey of benzene;2-cyanoguanidine?
The InChIKey is GLESGWGDQVEKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H4N4/c1-2-4-6-5-3-1;3-1-6-2(4)5/h1-6H;(H4,4,5,6).
What are the key properties of benzene;2-cyanoguanidine?
benzene;2-cyanoguanidine has a molecular weight of 162.20 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-cyanoguanidine is sourced from PubChem (CID 174939273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).