azane;2-cyanoguanidine

C2H7N5 — CID 21470607

IUPACazane;2-cyanoguanidine
SMILESN.N#CN=C(N)N
InChIInChI=1S/C2H4N4.H3N/c3-1-6-2(4)5;/h(H4,4,5,6);1H3
InChIKeyNUNLHSMRVNBTNF-UHFFFAOYSA-N
MW101.11 g/mol
LogP-1.10
Rot. Bonds

About azane;2-cyanoguanidine

azane;2-cyanoguanidine (PubChem CID 21470607) has the molecular formula C2H7N5 and a molecular weight of 101.11 g/mol. Its IUPAC name is azane;2-cyanoguanidine.

Molecular Properties

Compound Nameazane;2-cyanoguanidine
PubChem CID21470607
Molecular FormulaC2H7N5
Molecular Weight101.11 g/mol
Exact Mass101.07
IUPAC Nameazane;2-cyanoguanidine
SMILESN.N#CN=C(N)N
InChIInChI=1S/C2H4N4.H3N/c3-1-6-2(4)5;/h(H4,4,5,6);1H3
InChIKeyNUNLHSMRVNBTNF-UHFFFAOYSA-N
XLogP-1.10
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of azane;2-cyanoguanidine?
The IUPAC name of azane;2-cyanoguanidine (CID 21470607) is azane;2-cyanoguanidine.
What is the SMILES notation for azane;2-cyanoguanidine?
The canonical SMILES for azane;2-cyanoguanidine is N.N#CN=C(N)N.
What is the InChIKey of azane;2-cyanoguanidine?
The InChIKey is NUNLHSMRVNBTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4.H3N/c3-1-6-2(4)5;/h(H4,4,5,6);1H3.
What are the key properties of azane;2-cyanoguanidine?
azane;2-cyanoguanidine has a molecular weight of 101.11 g/mol, XLogP of -1.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-cyanoguanidine is sourced from PubChem (CID 21470607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).