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

C9H8N4O — CID 135441872

IUPAC6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C9H8N4O/c1-6-9(14)11-8(13-12-6)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,13,14)
InChIKeyIEZOSIBUZQHMEK-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.54
Rot. Bonds1

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

6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one (PubChem CID 135441872) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
PubChem CID135441872
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C9H8N4O/c1-6-9(14)11-8(13-12-6)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,13,14)
InChIKeyIEZOSIBUZQHMEK-UHFFFAOYSA-N
XLogP0.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one (CID 135441872) is 6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one is Cc1nnc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
The InChIKey is IEZOSIBUZQHMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-6-9(14)11-8(13-12-6)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,13,14).
What are the key properties of 6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one?
6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one has a molecular weight of 188.19 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135441872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).