5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one

C9H10N4O — CID 15586394

IUPAC5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one
SMILESCC1NC(=O)NN=C1c1ccccn1
InChIInChI=1S/C9H10N4O/c1-6-8(12-13-9(14)11-6)7-4-2-3-5-10-7/h2-6H,1H3,(H2,11,13,14)
InChIKeyLJHFYWXJFUFLEX-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.49
Rot. Bonds1

About 5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one

5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one (PubChem CID 15586394) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one
PubChem CID15586394
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one
SMILESCC1NC(=O)NN=C1c1ccccn1
InChIInChI=1S/C9H10N4O/c1-6-8(12-13-9(14)11-6)7-4-2-3-5-10-7/h2-6H,1H3,(H2,11,13,14)
InChIKeyLJHFYWXJFUFLEX-UHFFFAOYSA-N
XLogP0.49
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one (CID 15586394) is 5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one is CC1NC(=O)NN=C1c1ccccn1.
What is the InChIKey of 5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one?
The InChIKey is LJHFYWXJFUFLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-8(12-13-9(14)11-6)7-4-2-3-5-10-7/h2-6H,1H3,(H2,11,13,14).
What are the key properties of 5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one?
5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one has a molecular weight of 190.21 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pyridin-2-yl-4,5-dihydro-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 15586394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).