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

C5H9N3O — CID 14896775

IUPAC1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one
SMILESCC1N=CNN(C)C1=O
InChIInChI=1S/C5H9N3O/c1-4-5(9)8(2)7-3-6-4/h3-4H,1-2H3,(H,6,7)
InChIKeyNFNXAXSHKSXOEZ-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.62
Rot. Bonds

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

1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one (PubChem CID 14896775) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one.

Molecular Properties

Compound Name1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one
PubChem CID14896775
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one
SMILESCC1N=CNN(C)C1=O
InChIInChI=1S/C5H9N3O/c1-4-5(9)8(2)7-3-6-4/h3-4H,1-2H3,(H,6,7)
InChIKeyNFNXAXSHKSXOEZ-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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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one?
The IUPAC name of 1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one (CID 14896775) is 1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one.
What is the SMILES notation for 1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one?
The canonical SMILES for 1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one is CC1N=CNN(C)C1=O.
What is the InChIKey of 1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one?
The InChIKey is NFNXAXSHKSXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-5(9)8(2)7-3-6-4/h3-4H,1-2H3,(H,6,7).
What are the key properties of 1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one?
1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-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 1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one is sourced from PubChem (CID 14896775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).