1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one

C10H13FN4O2 — CID 118422319

IUPAC1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one
SMILESCc1c(F)ccc(N2NNN(C)C2=O)c1CO
InChIInChI=1S/C10H13FN4O2/c1-6-7(5-16)9(4-3-8(6)11)15-10(17)14(2)12-13-15/h3-4,12-13,16H,5H2,1-2H3
InChIKeyRMJGHZQMBWPVDU-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.42
Rot. Bonds2

About 1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one

1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one (PubChem CID 118422319) has the molecular formula C10H13FN4O2 and a molecular weight of 240.24 g/mol. Its IUPAC name is 1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one.

Molecular Properties

Compound Name1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one
PubChem CID118422319
Molecular FormulaC10H13FN4O2
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC Name1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one
SMILESCc1c(F)ccc(N2NNN(C)C2=O)c1CO
InChIInChI=1S/C10H13FN4O2/c1-6-7(5-16)9(4-3-8(6)11)15-10(17)14(2)12-13-15/h3-4,12-13,16H,5H2,1-2H3
InChIKeyRMJGHZQMBWPVDU-UHFFFAOYSA-N
XLogP0.42
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxymethyl-3-methylphenyl)-4-methyl-1,4-dihydrotetrazol-5-one
CID 89881238
1-[4-Fluoro-2-(1-hydroxyethyl)-5-methylphenyl]-4-methyltetrazol-5-one
CID 89864007
1-(2-Hydroxymethyl-3-methyl-6-fluorophenyl)-4-methyl-1,4-dihydrotetrazole-5-one
CID 89875891
1-(2-Hydroxymethyl-3-methyl-4-fluorophenyl)-4-methyl-1,4-dihydrotetrazol-5-one
CID 89875945
1-Amino-3-[6-fluoro-2-(hydroxymethyl)-3-methylphenyl]-1-methylurea
CID 90192874
N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide
CID 90192924
1-[3-(Difluoromethyl)-2-(hydroperoxymethyl)phenyl]-4-methyltetrazol-5-one
CID 117986687
1-[3-Fluoro-2-(hydroperoxymethyl)phenyl]-4-methyltetrazol-5-one
CID 117986688
1-[2-(Hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one
CID 118422280
N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]butanamide
CID 118422317
1-[5-Tert-butyl-4-fluoro-2-(1-hydroxyethyl)phenyl]-4-methyltetrazol-5-one
CID 121300461
1-[6-Fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one
CID 129110142

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one?
The IUPAC name of 1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one (CID 118422319) is 1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one.
What is the SMILES notation for 1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one?
The canonical SMILES for 1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one is Cc1c(F)ccc(N2NNN(C)C2=O)c1CO.
What is the InChIKey of 1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one?
The InChIKey is RMJGHZQMBWPVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2/c1-6-7(5-16)9(4-3-8(6)11)15-10(17)14(2)12-13-15/h3-4,12-13,16H,5H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one?
1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one has a molecular weight of 240.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(hydroxymethyl)-3-methylphenyl]-4-methyltetrazolidin-5-one is sourced from PubChem (CID 118422319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).