1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone

C21H19N5O3 — CID 134909719

IUPAC1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone
SMILESCOc1ccc(Cc2nnc3nc(C(C)=O)c(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C21H19N5O3/c1-13(27)19-20(15-6-10-17(29-3)11-7-15)26-21(22-19)24-23-18(25-26)12-14-4-8-16(28-2)9-5-14/h4-11H,12H2,1-3H3
InChIKeyYDIBQMNEDQIZCP-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.00
Rot. Bonds6

About 1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone

1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone (PubChem CID 134909719) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone
PubChem CID134909719
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone
SMILESCOc1ccc(Cc2nnc3nc(C(C)=O)c(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C21H19N5O3/c1-13(27)19-20(15-6-10-17(29-3)11-7-15)26-21(22-19)24-23-18(25-26)12-14-4-8-16(28-2)9-5-14/h4-11H,12H2,1-3H3
InChIKeyYDIBQMNEDQIZCP-UHFFFAOYSA-N
XLogP3.00
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
CID 746025
1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone
CID 132512555
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63345474
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82566873
6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5304612
2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75465883
N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide
CID 131936937
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
2-[(4-methoxyphenyl)methyl]-7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71705477
1-[1-tert-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]ethanone
CID 86721220
1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone
CID 102598875

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone?
The IUPAC name of 1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone (CID 134909719) is 1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone?
The canonical SMILES for 1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone is COc1ccc(Cc2nnc3nc(C(C)=O)c(-c4ccc(OC)cc4)n3n2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone?
The InChIKey is YDIBQMNEDQIZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13(27)19-20(15-6-10-17(29-3)11-7-15)26-21(22-19)24-23-18(25-26)12-14-4-8-16(28-2)9-5-14/h4-11H,12H2,1-3H3.
What are the key properties of 1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone?
1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone has a molecular weight of 389.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone is sourced from PubChem (CID 134909719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).