3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid

C8H20N6O3 — CID 176523607

IUPAC3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N/C(=N/CC)N(CC)CC
InChIInChI=1S/C8H19N5.HNO3/c1-4-11-8(12-7(9)10)13(5-2)6-3;2-1(3)4/h4-6H2,1-3H3,(H4,9,10,11,12);(H,2,3,4)
InChIKeyGDRQZRNRJFTTLA-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.16
Rot. Bonds3

About 3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid

3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid (PubChem CID 176523607) has the molecular formula C8H20N6O3 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid.

Molecular Properties

Compound Name3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid
PubChem CID176523607
Molecular FormulaC8H20N6O3
Molecular Weight248.29 g/mol
Exact Mass248.16
IUPAC Name3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N/C(=N/CC)N(CC)CC
InChIInChI=1S/C8H19N5.HNO3/c1-4-11-8(12-7(9)10)13(5-2)6-3;2-1(3)4/h4-6H2,1-3H3,(H4,9,10,11,12);(H,2,3,4)
InChIKeyGDRQZRNRJFTTLA-UHFFFAOYSA-N
XLogP-0.16
TPSA140.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid
CID 176523622
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
1-butyl-3-carbamimidoyl-2-propylguanidine;nitric acid
CID 176523620
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine
CID 22244847
1-carbamimidoylguanidine;oxovanadium(2+)
CID 176523770
1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine
CID 135467050
2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine
CID 176524679
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
CID 176540701
1-carbamimidoylguanidine;ethane;dihydrate
CID 176527155
1-carbamimidoyl-2-(2-methoxyethyl)guanidine
CID 176521934

Frequently Asked Questions

What is the IUPAC name of 3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid?
The IUPAC name of 3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid (CID 176523607) is 3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid.
What is the SMILES notation for 3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid?
The canonical SMILES for 3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid is O=[N+]([O-])O.[H]/N=C(\N)N/C(=N/CC)N(CC)CC.
What is the InChIKey of 3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid?
The InChIKey is GDRQZRNRJFTTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5.HNO3/c1-4-11-8(12-7(9)10)13(5-2)6-3;2-1(3)4/h4-6H2,1-3H3,(H4,9,10,11,12);(H,2,3,4).
What are the key properties of 3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid?
3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid has a molecular weight of 248.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid is sourced from PubChem (CID 176523607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).