3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one

C6H11N3O — CID 13290906

IUPAC3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one
SMILESCC1=NNC(C)N(C)C1=O
InChIInChI=1S/C6H11N3O/c1-4-6(10)9(3)5(2)8-7-4/h5,8H,1-3H3
InChIKeyXFOCCXKVSCFKKW-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.23
Rot. Bonds

About 3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one

3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one (PubChem CID 13290906) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one
PubChem CID13290906
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one
SMILESCC1=NNC(C)N(C)C1=O
InChIInChI=1S/C6H11N3O/c1-4-6(10)9(3)5(2)8-7-4/h5,8H,1-3H3
InChIKeyXFOCCXKVSCFKKW-UHFFFAOYSA-N
XLogP-0.23
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dimethyl-2,3-dihydro-1,2,4-triazin-5-one
CID 13290902
2,3,6-Trimethyl-3,4-dihydro-1,2,4-triazin-5-one
CID 21826914
4-ethyl-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 56766707

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one?
The IUPAC name of 3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one (CID 13290906) is 3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one.
What is the SMILES notation for 3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one?
The canonical SMILES for 3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one is CC1=NNC(C)N(C)C1=O.
What is the InChIKey of 3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one?
The InChIKey is XFOCCXKVSCFKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-6(10)9(3)5(2)8-7-4/h5,8H,1-3H3.
What are the key properties of 3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one?
3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one has a molecular weight of 141.17 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-2,3-dihydro-1,2,4-triazin-5-one is sourced from PubChem (CID 13290906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).