W1J

N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide

Created:	2020-09-24
Last modified:	2021-01-13

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1 entries where W1J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	10

2D diagram of W1J

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Chemical Component Summary
Name	N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(2-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide
Formula	C₉ H₁₁ N₅ O₂
Molecular Weight	221.216
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2nc(NC(=O)c1ccco1)nn2CCC
SMILES	CACTVS	3.385	CCCn1nnc(NC(=O)c2occc2)n1
SMILES	OpenEye OEToolkits	2.0.7	CCCn1nc(nn1)NC(=O)c2ccco2
Canonical SMILES	CACTVS	3.385	CCCn1nnc(NC(=O)c2occc2)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCn1nc(nn1)NC(=O)c2ccco2
InChI	InChI	1.03	InChI=1S/C9H11N5O2/c1-2-5-14-12-9(11-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,12,15)
InChIKey	InChI	1.03	DFAKOYAKHWMEQD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	894157
ChEMBL	CHEMBL1443189

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