TW0

(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol

Created:	2023-01-12
Last modified:	2023-05-24

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1 entries where TW0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	2
Bond Count	35
Aromatic Bond Count	11

2D diagram of TW0

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Chemical Component Summary
Name	(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol
Systematic Name (OpenEye OEToolkits)	(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol
Formula	C₁₂ H₁₅ N₅ O
Molecular Weight	245.28
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1CNCC[CH]1n2cc(nn2)c3ccccn3
SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)c2cn(nn2)C3CCNCC3O
Canonical SMILES	CACTVS	3.385	O[C@H]1CNCC[C@@H]1n2cc(nn2)c3ccccn3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)c2cn(nn2)[C@H]3CCNC[C@@H]3O
InChI	InChI	1.06	InChI=1S/C12H15N5O/c18-12-7-13-6-4-11(12)17-8-10(15-16-17)9-3-1-2-5-14-9/h1-3,5,8,11-13,18H,4,6-7H2/t11-,12-/m0/s1
InChIKey	InChI	1.06	HOLBWWKPFXUQIH-RYUDHWBXSA-N

Related Resource References

Resource Name	Reference
PubChem	168069183

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