2-(3-azidoprop-1-enyl)benzenecarboximidamide

C10H11N5 — CID 169461706

IUPAC2-(3-azidoprop-1-enyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1C=CCN=[N+]=[N-]
InChIInChI=1S/C10H11N5/c11-10(12)9-6-2-1-4-8(9)5-3-7-14-15-13/h1-6H,7H2,(H3,11,12)
InChIKeyKPSBAMXTJIOQGK-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.29
Rot. Bonds4

About 2-(3-azidoprop-1-enyl)benzenecarboximidamide

2-(3-azidoprop-1-enyl)benzenecarboximidamide (PubChem CID 169461706) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)benzenecarboximidamide
PubChem CID169461706
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-(3-azidoprop-1-enyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1C=CCN=[N+]=[N-]
InChIInChI=1S/C10H11N5/c11-10(12)9-6-2-1-4-8(9)5-3-7-14-15-13/h1-6H,7H2,(H3,11,12)
InChIKeyKPSBAMXTJIOQGK-UHFFFAOYSA-N
XLogP2.29
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Benzamidine, hydrochloride
CID 80289
Benzamidine
CID 2332
1H-Isoindol-3-amine, 1-imino-
CID 18980
N'-hydroxy-2-methylbenzene-1-carboximidamide
CID 5752321
N-Hydroxy-2-methyl-benzamidine
CID 3098087
3,4-Dihydro-isoquinolin-1-ylamine
CID 9793824
Benzamidinium chloride
CID 444655
1H-isoindol-3-amine
CID 427859
4-Aminomethyl benzamidine dihydrochloride
CID 2756473
3-(Aminomethyl)benzimidamide
CID 2756472
3-Amino-1H-isoindole hydrochloride
CID 2795203
2-methyl Benzamideoxime
CID 5941605

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)benzenecarboximidamide?
The IUPAC name of 2-(3-azidoprop-1-enyl)benzenecarboximidamide (CID 169461706) is 2-(3-azidoprop-1-enyl)benzenecarboximidamide.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)benzenecarboximidamide?
The canonical SMILES for 2-(3-azidoprop-1-enyl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1C=CCN=[N+]=[N-].
What is the InChIKey of 2-(3-azidoprop-1-enyl)benzenecarboximidamide?
The InChIKey is KPSBAMXTJIOQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-10(12)9-6-2-1-4-8(9)5-3-7-14-15-13/h1-6H,7H2,(H3,11,12).
What are the key properties of 2-(3-azidoprop-1-enyl)benzenecarboximidamide?
2-(3-azidoprop-1-enyl)benzenecarboximidamide has a molecular weight of 201.23 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)benzenecarboximidamide is sourced from PubChem (CID 169461706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).