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

C5H9N3O — CID 12868414

IUPAC2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one
SMILESCC1=NN(C)CNC1=O
InChIInChI=1S/C5H9N3O/c1-4-5(9)6-3-8(2)7-4/h3H2,1-2H3,(H,6,9)
InChIKeyRIOJPRUNIPTHHF-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.62
Rot. Bonds

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

2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one (PubChem CID 12868414) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one.

Molecular Properties

Compound Name2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one
PubChem CID12868414
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one
SMILESCC1=NN(C)CNC1=O
InChIInChI=1S/C5H9N3O/c1-4-5(9)6-3-8(2)7-4/h3H2,1-2H3,(H,6,9)
InChIKeyRIOJPRUNIPTHHF-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

2,6-Dimethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 244943
2,6-Dimethyl-3-methylidene-1,2,4-triazin-5-one
CID 58808812
2-Ethyl-6-methyl-1,2,4-triazine-3,5-dione
CID 68364823
3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 4994630
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
2,4,6-trimethyl-3H-1,2,4-triazin-5-one
CID 21826920
2,6-Dimethyl-3-sulfanyl-3,4-dihydro-1,2,4-triazin-5-one
CID 100918433

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one?
The IUPAC name of 2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one (CID 12868414) is 2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one.
What is the SMILES notation for 2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one?
The canonical SMILES for 2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one is CC1=NN(C)CNC1=O.
What is the InChIKey of 2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one?
The InChIKey is RIOJPRUNIPTHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-5(9)6-3-8(2)7-4/h3H2,1-2H3,(H,6,9).
What are the key properties of 2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one?
2,6-dimethyl-3,4-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 2,6-dimethyl-3,4-dihydro-1,2,4-triazin-5-one is sourced from PubChem (CID 12868414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).