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Summary Geometry Related PDB entries

HWM

Summary

Name:	5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one
Formula:	C13 H11 N5 O2
Formal charge:	0
Formula weight:	269.259 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one
OpenEye OEToolkits	2.0.6	2-methyl-5-oxidanyl-1-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]pyridin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1nnnc1c2ccc(cc2)N3C(=CC(C(=C3)O)=O)C
InChI	InChI	1.03	InChI=1S/C13H11N5O2/c1-8-6-11(19)12(20)7-18(8)10-4-2-9(3-5-10)13-14-16-17-15-13/h2-7,20H,1H3,(H,14,15,16,17)
InChIKey	InChI	1.03	OLTCPYAKGLAHBM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O
SMILES	CACTVS	3.385	CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O
SMILES	OpenEye OEToolkits	2.0.6	CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O

222415

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