3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one

C15H15N5O2 — CID 91297362

IUPAC3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCOCn1nnc2c(C=Cc3ccc(C)cc3)ncn2c1=O
InChIInChI=1S/C15H15N5O2/c1-11-3-5-12(6-4-11)7-8-13-14-17-18-20(10-22-2)15(21)19(14)9-16-13/h3-9H,10H2,1-2H3
InChIKeyMZEPSPKLKOGMET-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.37
Rot. Bonds4

About 3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one

3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 91297362) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID91297362
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCOCn1nnc2c(C=Cc3ccc(C)cc3)ncn2c1=O
InChIInChI=1S/C15H15N5O2/c1-11-3-5-12(6-4-11)7-8-13-14-17-18-20(10-22-2)15(21)19(14)9-16-13/h3-9H,10H2,1-2H3
InChIKeyMZEPSPKLKOGMET-UHFFFAOYSA-N
XLogP1.37
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 91297362) is 3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one is COCn1nnc2c(C=Cc3ccc(C)cc3)ncn2c1=O.
What is the InChIKey of 3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is MZEPSPKLKOGMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-11-3-5-12(6-4-11)7-8-13-14-17-18-20(10-22-2)15(21)19(14)9-16-13/h3-9H,10H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 297.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-8-[2-(4-methylphenyl)ethenyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 91297362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).