1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one

C10H10F2N4O2 — CID 19882829

IUPAC1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one
SMILESCCn1nnn(-c2cc(OC)c(F)cc2F)c1=O
InChIInChI=1S/C10H10F2N4O2/c1-3-15-10(17)16(14-13-15)8-5-9(18-2)7(12)4-6(8)11/h4-5H,3H2,1-2H3
InChIKeyLMQZLFGTWPLYTC-UHFFFAOYSA-N
MW256.21 g/mol
LogP0.74
Rot. Bonds3

About 1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one

1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one (PubChem CID 19882829) has the molecular formula C10H10F2N4O2 and a molecular weight of 256.21 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one
PubChem CID19882829
Molecular FormulaC10H10F2N4O2
Molecular Weight256.21 g/mol
Exact Mass256.08
IUPAC Name1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one
SMILESCCn1nnn(-c2cc(OC)c(F)cc2F)c1=O
InChIInChI=1S/C10H10F2N4O2/c1-3-15-10(17)16(14-13-15)8-5-9(18-2)7(12)4-6(8)11/h4-5H,3H2,1-2H3
InChIKeyLMQZLFGTWPLYTC-UHFFFAOYSA-N
XLogP0.74
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-Methoxyphenyl)-1,1-dimethylurea
CID 34178
1-(3-Methoxyphenyl)-3-methylurea
CID 4548688
3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)-
CID 3046479
1-Butan-2-yl-3-(3-methoxyphenyl)urea
CID 17267303
6-(3-methoxyphenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 155565031
1-[(2-Fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea
CID 23274858
N,N-diethyl-N'-(3-methoxyphenyl)urea
CID 5199218
3-Amino-1-(2,4-difluoro-5-methoxyphenyl)urea
CID 146082091
1-(3-Fluorophenyl)-4-(4-methoxyphenyl)tetrazol-5-one
CID 168342103
1-Cyclopentyl-3-(3-methoxyphenyl)urea
CID 6470680
1-[2-(Dimethylamino)ethyl]-3-(3-methoxyphenyl)imidazolidin-2-one
CID 23275106
HG864A 2-(3-methoxyphenyl)-5-methyl-tetrazolone
CID 90215452

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one?
The IUPAC name of 1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one (CID 19882829) is 1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one.
What is the SMILES notation for 1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one?
The canonical SMILES for 1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one is CCn1nnn(-c2cc(OC)c(F)cc2F)c1=O.
What is the InChIKey of 1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one?
The InChIKey is LMQZLFGTWPLYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O2/c1-3-15-10(17)16(14-13-15)8-5-9(18-2)7(12)4-6(8)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one?
1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one has a molecular weight of 256.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methoxyphenyl)-4-ethyltetrazol-5-one is sourced from PubChem (CID 19882829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).