2-ethylguanidine;nitrous acid

C3H10N4O2 — CID 174966669

IUPAC2-ethylguanidine;nitrous acid
SMILESCCN=C(N)N.O=NO
InChIInChI=1S/C3H9N3.HNO2/c1-2-6-3(4)5;2-1-3/h2H2,1H3,(H4,4,5,6);(H,2,3)
InChIKeyWKSDFENIILXCPK-UHFFFAOYSA-N
MW134.14 g/mol
LogP-0.58
Rot. Bonds1

About 2-ethylguanidine;nitrous acid

2-ethylguanidine;nitrous acid (PubChem CID 174966669) has the molecular formula C3H10N4O2 and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-ethylguanidine;nitrous acid.

Molecular Properties

Compound Name2-ethylguanidine;nitrous acid
PubChem CID174966669
Molecular FormulaC3H10N4O2
Molecular Weight134.14 g/mol
Exact Mass134.08
IUPAC Name2-ethylguanidine;nitrous acid
SMILESCCN=C(N)N.O=NO
InChIInChI=1S/C3H9N3.HNO2/c1-2-6-3(4)5;2-1-3/h2H2,1H3,(H4,4,5,6);(H,2,3)
InChIKeyWKSDFENIILXCPK-UHFFFAOYSA-N
XLogP-0.58
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylguanidine;nitrous acid?
The IUPAC name of 2-ethylguanidine;nitrous acid (CID 174966669) is 2-ethylguanidine;nitrous acid.
What is the SMILES notation for 2-ethylguanidine;nitrous acid?
The canonical SMILES for 2-ethylguanidine;nitrous acid is CCN=C(N)N.O=NO.
What is the InChIKey of 2-ethylguanidine;nitrous acid?
The InChIKey is WKSDFENIILXCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.HNO2/c1-2-6-3(4)5;2-1-3/h2H2,1H3,(H4,4,5,6);(H,2,3).
What are the key properties of 2-ethylguanidine;nitrous acid?
2-ethylguanidine;nitrous acid has a molecular weight of 134.14 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylguanidine;nitrous acid is sourced from PubChem (CID 174966669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).