QBM

6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol

Created:	2019-10-10
Last modified:	2020-04-15

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1 entries where QBM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of QBM

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Chemical Component Summary
Name	6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol
Systematic Name (OpenEye OEToolkits)	6-methyl-3-propylsulfanyl-1,2,4-triazin-5-ol
Formula	C₇ H₁₁ N₃ O S
Molecular Weight	185.247
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCCSc1nnc(c(O)n1)C
SMILES	CACTVS	3.385	CCCSc1nnc(C)c(O)n1
SMILES	OpenEye OEToolkits	2.0.7	CCCSc1nc(c(nn1)C)O
Canonical SMILES	CACTVS	3.385	CCCSc1nnc(C)c(O)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCSc1nc(c(nn1)C)O
InChI	InChI	1.03	InChI=1S/C7H11N3OS/c1-3-4-12-7-8-6(11)5(2)9-10-7/h3-4H2,1-2H3,(H,8,10,11)
InChIKey	InChI	1.03	FDEFEFHFXLJEDB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135453711, 1555395

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