2-amino-1-benzamidoguanidine

C8H11N5O — CID 55280611

IUPAC2-amino-1-benzamidoguanidine
SMILESN/N=C(\N)NNC(=O)c1ccccc1
InChIInChI=1S/C8H11N5O/c9-8(11-10)13-12-7(14)6-4-2-1-3-5-6/h1-5H,10H2,(H,12,14)(H3,9,11,13)
InChIKeyAYHHWBLGVGEGLG-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.89
Rot. Bonds1

About 2-amino-1-benzamidoguanidine

2-amino-1-benzamidoguanidine (PubChem CID 55280611) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-1-benzamidoguanidine.

Molecular Properties

Compound Name2-amino-1-benzamidoguanidine
PubChem CID55280611
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-amino-1-benzamidoguanidine
SMILESN/N=C(\N)NNC(=O)c1ccccc1
InChIInChI=1S/C8H11N5O/c9-8(11-10)13-12-7(14)6-4-2-1-3-5-6/h1-5H,10H2,(H,12,14)(H3,9,11,13)
InChIKeyAYHHWBLGVGEGLG-UHFFFAOYSA-N
XLogP-0.89
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide
CID 154143836
2-anilino-1-benzamidoguanidine
CID 154146821
benzamidothiourea
CID 781748
N'-(2-oxo-2-phenylacetyl)benzohydrazide
CID 12792453
N'-(hydroxymethyl)benzohydrazide
CID 130128548
N'-oxidobenzohydrazide
CID 174971627
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
CID 21231530
N'-(2-amino-2-methylpropanoyl)benzohydrazide
CID 67519847
ethyl (Z)-3-amino-3-(2-benzoylhydrazinyl)prop-2-enoate
CID 20849886
N-carbamoylbenzamide;urea
CID 157303801
N'-benzoyl-2-nitrosobenzohydrazide
CID 89185550
benzyl N-benzamidocarbamate
CID 4935848

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-benzamidoguanidine?
The IUPAC name of 2-amino-1-benzamidoguanidine (CID 55280611) is 2-amino-1-benzamidoguanidine.
What is the SMILES notation for 2-amino-1-benzamidoguanidine?
The canonical SMILES for 2-amino-1-benzamidoguanidine is N/N=C(\N)NNC(=O)c1ccccc1.
What is the InChIKey of 2-amino-1-benzamidoguanidine?
The InChIKey is AYHHWBLGVGEGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c9-8(11-10)13-12-7(14)6-4-2-1-3-5-6/h1-5H,10H2,(H,12,14)(H3,9,11,13).
What are the key properties of 2-amino-1-benzamidoguanidine?
2-amino-1-benzamidoguanidine has a molecular weight of 193.21 g/mol, XLogP of -0.89, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-benzamidoguanidine is sourced from PubChem (CID 55280611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).