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

C15H16N6O2 — CID 121387104

IUPAC1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one
SMILESCc1cnc(OCc2c(C)cccc2-n2nnn(C)c2=O)cn1
InChIInChI=1S/C15H16N6O2/c1-10-5-4-6-13(21-15(22)20(3)18-19-21)12(10)9-23-14-8-16-11(2)7-17-14/h4-8H,9H2,1-3H3
InChIKeyHECINAUMAYCPJE-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.95
Rot. Bonds4

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

1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one (PubChem CID 121387104) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one
PubChem CID121387104
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one
SMILESCc1cnc(OCc2c(C)cccc2-n2nnn(C)c2=O)cn1
InChIInChI=1S/C15H16N6O2/c1-10-5-4-6-13(21-15(22)20(3)18-19-21)12(10)9-23-14-8-16-11(2)7-17-14/h4-8H,9H2,1-3H3
InChIKeyHECINAUMAYCPJE-UHFFFAOYSA-N
XLogP0.95
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one (CID 121387104) is 1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one is Cc1cnc(OCc2c(C)cccc2-n2nnn(C)c2=O)cn1.
What is the InChIKey of 1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one?
The InChIKey is HECINAUMAYCPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-10-5-4-6-13(21-15(22)20(3)18-19-21)12(10)9-23-14-8-16-11(2)7-17-14/h4-8H,9H2,1-3H3.
What are the key properties of 1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one?
1-methyl-4-[3-methyl-2-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one has a molecular weight of 312.33 g/mol, XLogP of 0.95, 4 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-[(5-methylpyrazin-2-yl)oxymethyl]phenyl]tetrazol-5-one is sourced from PubChem (CID 121387104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).