4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one

C8H9N5O2 — CID 106515838

IUPAC4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2cnn(C)c2)[nH]c(=O)n1
InChIInChI=1S/C8H9N5O2/c1-13-4-5(3-9-13)6-10-7(14)12-8(11-6)15-2/h3-4H,1-2H3,(H,10,11,12,14)
InChIKeyUJFCOJQIRDHOQB-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.43
Rot. Bonds2

About 4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one

4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one (PubChem CID 106515838) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one
PubChem CID106515838
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2cnn(C)c2)[nH]c(=O)n1
InChIInChI=1S/C8H9N5O2/c1-13-4-5(3-9-13)6-10-7(14)12-8(11-6)15-2/h3-4H,1-2H3,(H,10,11,12,14)
InChIKeyUJFCOJQIRDHOQB-UHFFFAOYSA-N
XLogP-0.43
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 65485621
6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515852
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402
5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 63611285
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 176509214
6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106517961
6-(4-fluorophenyl)-2-(1-methylpyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 138994697
2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine
CID 28742910
6-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 60731660
6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole
CID 60980673
6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 107362492

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one (CID 106515838) is 4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one is COc1nc(-c2cnn(C)c2)[nH]c(=O)n1.
What is the InChIKey of 4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one?
The InChIKey is UJFCOJQIRDHOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-13-4-5(3-9-13)6-10-7(14)12-8(11-6)15-2/h3-4H,1-2H3,(H,10,11,12,14).
What are the key properties of 4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one?
4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one has a molecular weight of 207.19 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 106515838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).