A1IST

4-(5-methyl-4H-1,2,4-triazol-3-yl)quinoline

Created:	2024-10-28
Last modified:	2025-03-12

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1 entries where A1IST is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	16

2D diagram of A1IST

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Chemical Component Summary
Name	4-(5-methyl-4H-1,2,4-triazol-3-yl)quinoline
Systematic Name (OpenEye OEToolkits)	4-(5-methyl-4~{H}-1,2,4-triazol-3-yl)quinoline
Formula	C₁₂ H₁₀ N₄
Molecular Weight	210.235
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1[nH]c(nn1)c2ccnc3ccccc23
SMILES	OpenEye OEToolkits	2.0.7	Cc1[nH]c(nn1)c2ccnc3c2cccc3
Canonical SMILES	CACTVS	3.385	Cc1[nH]c(nn1)c2ccnc3ccccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1[nH]c(nn1)c2ccnc3c2cccc3
InChI	InChI	1.06	InChI=1S/C12H10N4/c1-8-14-12(16-15-8)10-6-7-13-11-5-3-2-4-9(10)11/h2-7H,1H3,(H,14,15,16)
InChIKey	InChI	1.06	VBJAMIUIUPPGLI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	50973595

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