6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one

C9H12N4O2 — CID 24829281

IUPAC6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one
SMILESCOc1ccc(C2NNC(=O)NN2)cc1
InChIInChI=1S/C9H12N4O2/c1-15-7-4-2-6(3-5-7)8-10-12-9(14)13-11-8/h2-5,8,10-11H,1H3,(H2,12,13,14)
InChIKeyOBYXRVRKMVGLTG-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.02
Rot. Bonds2

About 6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one

6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one (PubChem CID 24829281) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one
PubChem CID24829281
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one
SMILESCOc1ccc(C2NNC(=O)NN2)cc1
InChIInChI=1S/C9H12N4O2/c1-15-7-4-2-6(3-5-7)8-10-12-9(14)13-11-8/h2-5,8,10-11H,1H3,(H2,12,13,14)
InChIKeyOBYXRVRKMVGLTG-UHFFFAOYSA-N
XLogP0.02
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 95157848
3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 11171849
(5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one
CID 906702
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
(3S)-3-(4-methoxyphenyl)oxolan-2-one
CID 124514698
3-(4-methoxyphenyl)-2,3-dihydro-1H-pyrazole
CID 154417745
12-(4-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione
CID 21177329
4-(4-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 13427349
(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one
CID 10330960
4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 154983197
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one?
The IUPAC name of 6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one (CID 24829281) is 6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one?
The canonical SMILES for 6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one is COc1ccc(C2NNC(=O)NN2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one?
The InChIKey is OBYXRVRKMVGLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-15-7-4-2-6(3-5-7)8-10-12-9(14)13-11-8/h2-5,8,10-11H,1H3,(H2,12,13,14).
What are the key properties of 6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one?
6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one has a molecular weight of 208.22 g/mol, XLogP of 0.02, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one is sourced from PubChem (CID 24829281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).