1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one

C12H15FN4O3 — CID 122531879

IUPAC1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one
SMILESCCc1cc(-n2nnn(C)c2=O)c(OCCO)cc1F
InChIInChI=1S/C12H15FN4O3/c1-3-8-6-10(17-12(19)16(2)14-15-17)11(7-9(8)13)20-5-4-18/h6-7,18H,3-5H2,1-2H3
InChIKeyNIURLAKHPGLJOL-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.04
Rot. Bonds5

About 1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one

1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one (PubChem CID 122531879) has the molecular formula C12H15FN4O3 and a molecular weight of 282.28 g/mol. Its IUPAC name is 1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one
PubChem CID122531879
Molecular FormulaC12H15FN4O3
Molecular Weight282.28 g/mol
Exact Mass282.11
IUPAC Name1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one
SMILESCCc1cc(-n2nnn(C)c2=O)c(OCCO)cc1F
InChIInChI=1S/C12H15FN4O3/c1-3-8-6-10(17-12(19)16(2)14-15-17)11(7-9(8)13)20-5-4-18/h6-7,18H,3-5H2,1-2H3
InChIKeyNIURLAKHPGLJOL-UHFFFAOYSA-N
XLogP0.04
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-butoxy-5-methylphenyl)-N-ethyl-4-(2-fluoro-6-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58501937
4-(2,6-difluorophenyl)-N-ethyl-N-(5-methyl-2-propan-2-yloxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58501978
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide
CID 58502136
N-(2-butoxy-5-methylphenyl)-4-(2,6-difluorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide
CID 58502280
4-(2,6-difluorophenyl)-N-ethyl-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide
CID 58502309
4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide
CID 58502340
1-(4-fluoro-2-isopropoxyphenyl)-4-methyl-1H-tetrazol-5(4H)-one
CID 86704475
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(5-methyl-2-propan-2-yloxyphenyl)-5-oxotetrazole-1-carboxamide
CID 89828732
1-(3-Fluoro-2-propan-2-yloxyphenyl)-4-methyltetrazol-5-one
CID 89855418
1-[4-Fluoro-2-(2-hydroxyethoxy)-5-methylphenyl]-4-methyltetrazol-5-one
CID 89863721
1-(4-Fluoro-2-methoxy-5-methylphenyl)-4-methyltetrazolidin-5-one
CID 89863776
1-[4-Fluoro-5-methyl-2-(oxan-4-ylmethoxy)phenyl]-4-methyltetrazol-5-one
CID 89863779

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one (CID 122531879) is 1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one is CCc1cc(-n2nnn(C)c2=O)c(OCCO)cc1F.
What is the InChIKey of 1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one?
The InChIKey is NIURLAKHPGLJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O3/c1-3-8-6-10(17-12(19)16(2)14-15-17)11(7-9(8)13)20-5-4-18/h6-7,18H,3-5H2,1-2H3.
What are the key properties of 1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one?
1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one has a molecular weight of 282.28 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 122531879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).