2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one

C5H12N4O — CID 13062847

IUPAC2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one
SMILESCC1NN(C)C(=O)N(C)N1
InChIInChI=1S/C5H12N4O/c1-4-6-8(2)5(10)9(3)7-4/h4,6-7H,1-3H3
InChIKeyMXEXGQLVGJPNRV-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.66
Rot. Bonds

About 2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one

2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one (PubChem CID 13062847) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one.

Molecular Properties

Compound Name2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one
PubChem CID13062847
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one
SMILESCC1NN(C)C(=O)N(C)N1
InChIInChI=1S/C5H12N4O/c1-4-6-8(2)5(10)9(3)7-4/h4,6-7H,1-3H3
InChIKeyMXEXGQLVGJPNRV-UHFFFAOYSA-N
XLogP-0.66
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one
CID 10759146
1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one
CID 14896775
1,3-dimethyl-4-oxo-1,3-diazetidine-2-carbaldehyde
CID 163948351
4-imino-1,3-dimethyl-1,3-diazetidin-2-one
CID 163490125
sodium;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
CID 173035286
ethane;1,3,5-trimethyl-1,3-diazinan-2-one
CID 154694196
(4R)-1-ethyl-3,4-dimethylimidazolidin-2-one
CID 178098960
4,5-difluoro-1,3-dimethylimidazolidin-2-one
CID 150532585
1-iodo-3,4,5-trimethylimidazolidin-2-one
CID 154991596
(3aR,6aR)-3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 832248
3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 646967
12-acetyl-3,7-dimethyl-6,7,9,11-tetrazatricyclo[7.3.0.03,5]dodeca-1(12),10-dien-8-one
CID 91341937

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one?
The IUPAC name of 2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one (CID 13062847) is 2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one.
What is the SMILES notation for 2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one?
The canonical SMILES for 2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one is CC1NN(C)C(=O)N(C)N1.
What is the InChIKey of 2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one?
The InChIKey is MXEXGQLVGJPNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-4-6-8(2)5(10)9(3)7-4/h4,6-7H,1-3H3.
What are the key properties of 2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one?
2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one has a molecular weight of 144.18 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1,2,4,5-tetrazinan-3-one is sourced from PubChem (CID 13062847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).