1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one

C12H16N4O3 — CID 134228568

IUPAC1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one
SMILESCOc1ccccc1-n1nnn(CC(C)(C)O)c1=O
InChIInChI=1S/C12H16N4O3/c1-12(2,18)8-15-11(17)16(14-13-15)9-6-4-5-7-10(9)19-3/h4-7,18H,8H2,1-3H3
InChIKeyJQSHKAVWFXZZIF-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.21
Rot. Bonds4

About 1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one

1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one (PubChem CID 134228568) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one
PubChem CID134228568
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one
SMILESCOc1ccccc1-n1nnn(CC(C)(C)O)c1=O
InChIInChI=1S/C12H16N4O3/c1-12(2,18)8-15-11(17)16(14-13-15)9-6-4-5-7-10(9)19-3/h4-7,18H,8H2,1-3H3
InChIKeyJQSHKAVWFXZZIF-UHFFFAOYSA-N
XLogP0.21
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
CID 46708109
N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58502440
1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
CID 139229097
6-(2,2-dimethylpropanoyl)-2-(2-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785984
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175940957
5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one
CID 67328478
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
benzyl 4-[[4-(2-methoxyphenyl)-5-oxotetrazole-1-carbonyl]-methylamino]benzoate
CID 126499071
1-(2-chloro-5-methoxy-4-phenylphenyl)-4-propyltetrazol-5-one
CID 14774825
3-(2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369551

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one (CID 134228568) is 1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one is COc1ccccc1-n1nnn(CC(C)(C)O)c1=O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one?
The InChIKey is JQSHKAVWFXZZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(2,18)8-15-11(17)16(14-13-15)9-6-4-5-7-10(9)19-3/h4-7,18H,8H2,1-3H3.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one?
1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one has a molecular weight of 264.29 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyphenyl)tetrazol-5-one is sourced from PubChem (CID 134228568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).