1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one

C21H20N6O2 — CID 118965490

IUPAC1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one
SMILESCc1ccc(-c2cncc(OCc3c(C)cccc3-n3nnn(C)c3=O)n2)cc1
InChIInChI=1S/C21H20N6O2/c1-14-7-9-16(10-8-14)18-11-22-12-20(23-18)29-13-17-15(2)5-4-6-19(17)27-21(28)26(3)24-25-27/h4-12H,13H2,1-3H3
InChIKeyDLHZZXPTJPQHNF-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.62
Rot. Bonds5

About 1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one

1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one (PubChem CID 118965490) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one
PubChem CID118965490
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one
SMILESCc1ccc(-c2cncc(OCc3c(C)cccc3-n3nnn(C)c3=O)n2)cc1
InChIInChI=1S/C21H20N6O2/c1-14-7-9-16(10-8-14)18-11-22-12-20(23-18)29-13-17-15(2)5-4-6-19(17)27-21(28)26(3)24-25-27/h4-12H,13H2,1-3H3
InChIKeyDLHZZXPTJPQHNF-UHFFFAOYSA-N
XLogP2.62
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-4-[3-methyl-2-[[6-(1H-pyrazol-1-ium-5-yl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one
CID 144738920
1-methyl-4-[3-methyl-2-[(4-methylphenyl)methoxymethyl]phenyl]tetrazol-5-one
CID 118054306
1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121387065
1-methyl-4-[3-methyl-2-[[2-methyl-4-(1-methylpyrazol-3-yl)phenoxy]methyl]phenyl]tetrazol-5-one
CID 118236445
1-[2-[[3-(4-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 118965502
1-methyl-4-[3-methyl-2-[(2-methyl-4-naphthalen-2-ylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121382546
1-[3-methoxy-2-[[6-(4-methoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]-4-methyltetrazol-5-one
CID 118966113
1-[2-[[4-(6-methoxypyridazin-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 90468032
1-[2-[(2,5-dimethyl-4-pyrazin-2-ylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121367388
1-[3-iodo-2-(pyrazin-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707163
1-methyl-4-[3-methyl-2-[[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]methyl]phenyl]tetrazol-5-one
CID 121382569
1-[2-[[1-(4-methoxyphenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 71769204

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one (CID 118965490) is 1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one is Cc1ccc(-c2cncc(OCc3c(C)cccc3-n3nnn(C)c3=O)n2)cc1.
What is the InChIKey of 1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one?
The InChIKey is DLHZZXPTJPQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14-7-9-16(10-8-14)18-11-22-12-20(23-18)29-13-17-15(2)5-4-6-19(17)27-21(28)26(3)24-25-27/h4-12H,13H2,1-3H3.
What are the key properties of 1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one?
1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one has a molecular weight of 388.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-2-[[6-(4-methylphenyl)pyrazin-2-yl]oxymethyl]phenyl]tetrazol-5-one is sourced from PubChem (CID 118965490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).