5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one

C14H15N5O2 — CID 13469425

IUPAC5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one
SMILESCC1=NN(c2ccc(C3=NNC(=O)NC3C)cc2)C(=O)C1
InChIInChI=1S/C14H15N5O2/c1-8-7-12(20)19(18-8)11-5-3-10(4-6-11)13-9(2)15-14(21)17-16-13/h3-6,9H,7H2,1-2H3,(H2,15,17,21)
InChIKeyIDAHVMGGUVADIJ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.20
Rot. Bonds2

About 5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one

5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one (PubChem CID 13469425) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one
PubChem CID13469425
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one
SMILESCC1=NN(c2ccc(C3=NNC(=O)NC3C)cc2)C(=O)C1
InChIInChI=1S/C14H15N5O2/c1-8-7-12(20)19(18-8)11-5-3-10(4-6-11)13-9(2)15-14(21)17-16-13/h3-6,9H,7H2,1-2H3,(H2,15,17,21)
InChIKeyIDAHVMGGUVADIJ-UHFFFAOYSA-N
XLogP1.20
TPSA86.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one (CID 13469425) is 5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one is CC1=NN(c2ccc(C3=NNC(=O)NC3C)cc2)C(=O)C1.
What is the InChIKey of 5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one?
The InChIKey is IDAHVMGGUVADIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-7-12(20)19(18-8)11-5-3-10(4-6-11)13-9(2)15-14(21)17-16-13/h3-6,9H,7H2,1-2H3,(H2,15,17,21).
What are the key properties of 5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one?
5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one has a molecular weight of 285.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 13469425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).