2-cyanoguanidine;guanidine

C3H9N7 — CID 19858542

IUPAC2-cyanoguanidine;guanidine
SMILESN#CN=C(N)N.[H]N=C(N)N
InChIInChI=1S/C2H4N4.CH5N3/c3-1-6-2(4)5;2-1(3)4/h(H4,4,5,6);(H5,2,3,4)
InChIKeyFIYYUWIKERTXDF-UHFFFAOYSA-N
MW143.15 g/mol
LogP-2.42
Rot. Bonds

About 2-cyanoguanidine;guanidine

2-cyanoguanidine;guanidine (PubChem CID 19858542) has the molecular formula C3H9N7 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-cyanoguanidine;guanidine.

Molecular Properties

Compound Name2-cyanoguanidine;guanidine
PubChem CID19858542
Molecular FormulaC3H9N7
Molecular Weight143.15 g/mol
Exact Mass143.09
IUPAC Name2-cyanoguanidine;guanidine
SMILESN#CN=C(N)N.[H]N=C(N)N
InChIInChI=1S/C2H4N4.CH5N3/c3-1-6-2(4)5;2-1(3)4/h(H4,4,5,6);(H5,2,3,4)
InChIKeyFIYYUWIKERTXDF-UHFFFAOYSA-N
XLogP-2.42
TPSA164.08 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-2.42
H-Bond Donors ≤ 55
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 2-cyanoguanidine;guanidine?
The IUPAC name of 2-cyanoguanidine;guanidine (CID 19858542) is 2-cyanoguanidine;guanidine.
What is the SMILES notation for 2-cyanoguanidine;guanidine?
The canonical SMILES for 2-cyanoguanidine;guanidine is N#CN=C(N)N.[H]N=C(N)N.
What is the InChIKey of 2-cyanoguanidine;guanidine?
The InChIKey is FIYYUWIKERTXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4.CH5N3/c3-1-6-2(4)5;2-1(3)4/h(H4,4,5,6);(H5,2,3,4).
What are the key properties of 2-cyanoguanidine;guanidine?
2-cyanoguanidine;guanidine has a molecular weight of 143.15 g/mol, XLogP of -2.42, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoguanidine;guanidine is sourced from PubChem (CID 19858542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).