4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one

C10H12N4O2 — CID 136646210

IUPAC4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one
SMILESCOCc1c(C)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-7-4-3-5-9(8(7)6-16-2)14-10(15)11-12-13-14/h3-5H,6H2,1-2H3,(H,11,13,15)
InChIKeyYDARLNYTIKLWNV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.41
Rot. Bonds3

About 4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one

4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one (PubChem CID 136646210) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one
PubChem CID136646210
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one
SMILESCOCc1c(C)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-7-4-3-5-9(8(7)6-16-2)14-10(15)11-12-13-14/h3-5H,6H2,1-2H3,(H,11,13,15)
InChIKeyYDARLNYTIKLWNV-UHFFFAOYSA-N
XLogP0.41
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxymethyl-3-methylphenyl)-4-methyl-1,4-dihydrotetrazol-5-one
CID 89881238
1-[3-(Difluoromethyl)-2-(hydroperoxymethyl)phenyl]-4-methyltetrazol-5-one
CID 117986687
1-[2-(Hydroxymethyl)-3-(trifluoromethyl)phenyl]tetrazolidin-5-one
CID 118422280
methyl N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]ethanimidate
CID 118459469
N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide
CID 130318260
N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide
CID 130318265
methyl N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]carbamate
CID 130318266
methyl N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate
CID 130318581
N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide
CID 130318582
N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]acetamide
CID 130318583
[2-[amino(hydrazinecarbonyl)amino]-6-(trifluoromethyl)phenyl]methyl N'-[(Z)-aminomethylideneamino]carbamimidate
CID 134548006
2-Methyl-3-fluoro-6-(5-oxo-4,5-dihydrotetrazol-1-yl)benzoic acid methyl ester
CID 136646302

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one?
The IUPAC name of 4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one (CID 136646210) is 4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one.
What is the SMILES notation for 4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one?
The canonical SMILES for 4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one is COCc1c(C)cccc1-n1nn[nH]c1=O.
What is the InChIKey of 4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one?
The InChIKey is YDARLNYTIKLWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-4-3-5-9(8(7)6-16-2)14-10(15)11-12-13-14/h3-5H,6H2,1-2H3,(H,11,13,15).
What are the key properties of 4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one?
4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one has a molecular weight of 220.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)-3-methylphenyl]-1H-tetrazol-5-one is sourced from PubChem (CID 136646210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).