K4R

1H-indazole-3-carbonitrile

Created:	2023-08-10
Last modified:	2024-04-24

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3 entries where K4R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	10

2D diagram of K4R

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Chemical Component Summary
Name	1H-indazole-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	1~{H}-indazole-3-carbonitrile
Formula	C₈ H₅ N₃
Molecular Weight	143.145
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc1n[NH]c2ccccc21
SMILES	CACTVS	3.385	N#Cc1n[nH]c2ccccc12
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(n[nH]2)C#N
Canonical SMILES	CACTVS	3.385	N#Cc1n[nH]c2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(n[nH]2)C#N
InChI	InChI	1.06	InChI=1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
InChIKey	InChI	1.06	REHRQXVEAXFIML-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	437556

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