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

C5H9N3O — CID 13290902

IUPAC4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one
SMILESCC1=NNCN(C)C1=O
InChIInChI=1S/C5H9N3O/c1-4-5(9)8(2)3-6-7-4/h6H,3H2,1-2H3
InChIKeyGQCZGPCKUJEIHQ-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.62
Rot. Bonds

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

4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one (PubChem CID 13290902) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one
PubChem CID13290902
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one
SMILESCC1=NNCN(C)C1=O
InChIInChI=1S/C5H9N3O/c1-4-5(9)8(2)3-6-7-4/h6H,3H2,1-2H3
InChIKeyGQCZGPCKUJEIHQ-UHFFFAOYSA-N
XLogP-0.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dimethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 245931
4-Amino-3-hydrazino-6-methyl-1,2,4-triazin-5(2h)-one
CID 101425008
4,6-dimethyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 13124848
2,6-Dimethyl-3,4-dihydro-1,2,4-triazin-5-one
CID 12868414
3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 4994630
4-Methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one
CID 13290903
3,4,6-Trimethyl-2,3-dihydro-1,2,4-triazin-5-one
CID 13290906
2,4,6-trimethyl-3H-1,2,4-triazin-5-one
CID 21826920
1,4,6-trimethyl-2H-1,2,4-triazin-1-ium-3,5-dione
CID 23258650

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one?
The IUPAC name of 4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one (CID 13290902) is 4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one.
What is the SMILES notation for 4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one?
The canonical SMILES for 4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one is CC1=NNCN(C)C1=O.
What is the InChIKey of 4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one?
The InChIKey is GQCZGPCKUJEIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-5(9)8(2)3-6-7-4/h6H,3H2,1-2H3.
What are the key properties of 4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one?
4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one has a molecular weight of 127.15 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,3-dihydro-1,2,4-triazin-5-one is sourced from PubChem (CID 13290902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).