1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one

C17H15N7O — CID 67322545

IUPAC1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncn[nH]4)c3)n2)cn1
InChIInChI=1S/C17H15N7O/c1-23-10-14(9-20-23)24-6-5-16(25)15(22-24)8-12-3-2-4-13(7-12)17-18-11-19-21-17/h2-7,9-11H,8H2,1H3,(H,18,19,21)
InChIKeyHWJJWFUYCUSUGT-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.34
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one

1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one (PubChem CID 67322545) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one
PubChem CID67322545
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncn[nH]4)c3)n2)cn1
InChIInChI=1S/C17H15N7O/c1-23-10-14(9-20-23)24-6-5-16(25)15(22-24)8-12-3-2-4-13(7-12)17-18-11-19-21-17/h2-7,9-11H,8H2,1H3,(H,18,19,21)
InChIKeyHWJJWFUYCUSUGT-UHFFFAOYSA-N
XLogP1.34
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one with MolForge

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Related Compounds

3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 67342289
1-(1-methylpyrazol-4-yl)-3-[[3-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-4-one
CID 67344539
1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one
CID 53308325
1-(1-methylpyrazol-4-yl)-3-[[3-[5-(2-phenylethyl)pyrimidin-2-yl]phenyl]methyl]pyridazin-4-one
CID 67341644
3-[[3-(5-ethoxypyrimidin-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 53308178
N-methyl-2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]pyrimidine-5-carboxamide
CID 67325997
1-(1-methylpyrazol-4-yl)-3-[[3-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]methyl]pyridazin-4-one
CID 70871422
3-[[3-[5-(2-methylpropoxy)pyrimidin-2-yl]phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 67379300
5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one
CID 53308327
3-[[3-[5-[2-methoxyethyl(methyl)amino]pyrimidin-2-yl]phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 67340286
1-(1-methylpyrazol-4-yl)-3-[[3-[5-(pyridin-4-ylmethoxy)pyrimidin-2-yl]phenyl]methyl]pyridazin-4-one
CID 70871354
4-[[2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]pyrimidin-5-yl]methyl]piperazine-1-carboxylic acid
CID 67380315

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one (CID 67322545) is 1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one is Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncn[nH]4)c3)n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one?
The InChIKey is HWJJWFUYCUSUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-23-10-14(9-20-23)24-6-5-16(25)15(22-24)8-12-3-2-4-13(7-12)17-18-11-19-21-17/h2-7,9-11H,8H2,1H3,(H,18,19,21).
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one?
1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one has a molecular weight of 333.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyridazin-4-one is sourced from PubChem (CID 67322545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).