2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide

C17H17FN6O3 — CID 9323754

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NNC(=O)COc1ccccc1F
InChIInChI=1S/C17H17FN6O3/c1-10-12(11(2)24-17(21-10)19-9-20-24)7-15(25)22-23-16(26)8-27-14-6-4-3-5-13(14)18/h3-6,9H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCHDADXXOMRWHSW-UHFFFAOYSA-N
MW372.36 g/mol
LogP0.65
Rot. Bonds5

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide (PubChem CID 9323754) has the molecular formula C17H17FN6O3 and a molecular weight of 372.36 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
PubChem CID9323754
Molecular FormulaC17H17FN6O3
Molecular Weight372.36 g/mol
Exact Mass372.13
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NNC(=O)COc1ccccc1F
InChIInChI=1S/C17H17FN6O3/c1-10-12(11(2)24-17(21-10)19-9-20-24)7-15(25)22-23-16(26)8-27-14-6-4-3-5-13(14)18/h3-6,9H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCHDADXXOMRWHSW-UHFFFAOYSA-N
XLogP0.65
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide (CID 9323754) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide is Cc1nc2ncnn2c(C)c1CC(=O)NNC(=O)COc1ccccc1F.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
The InChIKey is CHDADXXOMRWHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O3/c1-10-12(11(2)24-17(21-10)19-9-20-24)7-15(25)22-23-16(26)8-27-14-6-4-3-5-13(14)18/h3-6,9H,7-8H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide has a molecular weight of 372.36 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 9323754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).