FKB

(2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide

Created:	2018-07-16
Last modified:	2019-05-15

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	10

2D diagram of FKB

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Chemical Component Summary
Name	(2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide
Formula	C₁₄ H₁₉ N₉ O
Molecular Weight	329.36
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)[CH](Cc1nn2c(N)nc(NC3CCCCC3)nc2n1)C#N
SMILES	OpenEye OEToolkits	2.0.6	C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)CC(C#N)C(=O)N)N
Canonical SMILES	CACTVS	3.385	NC(=O)[C@H](Cc1nn2c(N)nc(NC3CCCCC3)nc2n1)C#N
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)C[C@H](C#N)C(=O)N)N
InChI	InChI	1.03	InChI=1S/C14H19N9O/c15-7-8(11(16)24)6-10-19-14-21-13(20-12(17)23(14)22-10)18-9-4-2-1-3-5-9/h8-9H,1-6H2,(H2,16,24)(H3,17,18,19,20,21,22)/t8-/m1/s1
InChIKey	InChI	1.03	PQPBZNWOHODPRV-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	138753207

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