A1IWT

3-azanyl-3-azanylidene-propanamide

Created:	2024-12-19
Last modified:	2025-02-05

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1 entries where A1IWT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	0

2D diagram of A1IWT

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Chemical Component Summary
Name	3-azanyl-3-azanylidene-propanamide
Systematic Name (OpenEye OEToolkits)	3-azanyl-3-azanylidene-propanamide
Formula	C₃ H₇ N₃ O
Molecular Weight	101.107
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=N)CC(N)=O
SMILES	OpenEye OEToolkits	2.0.7	C(C(=N)N)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=N)CC(N)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(\CC(=O)N)/N
InChI	InChI	1.06	InChI=1S/C3H7N3O/c4-2(5)1-3(6)7/h1H2,(H3,4,5)(H2,6,7)
InChIKey	InChI	1.06	RGXJMLZFKIUGNH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	413165

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.