N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide

C19H22N6O3 — CID 7693050

IUPACN'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide
SMILESCc1cc(C)n2nc(CC(=O)NNC(=O)COc3cccc(C)c3C)nc2n1
InChIInChI=1S/C19H22N6O3/c1-11-6-5-7-15(14(11)4)28-10-18(27)23-22-17(26)9-16-21-19-20-12(2)8-13(3)25(19)24-16/h5-8H,9-10H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyBLCRWNMXIHZDKR-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.13
Rot. Bonds5

About N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide

N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide (PubChem CID 7693050) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide
PubChem CID7693050
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide
SMILESCc1cc(C)n2nc(CC(=O)NNC(=O)COc3cccc(C)c3C)nc2n1
InChIInChI=1S/C19H22N6O3/c1-11-6-5-7-15(14(11)4)28-10-18(27)23-22-17(26)9-16-21-19-20-12(2)8-13(3)25(19)24-16/h5-8H,9-10H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyBLCRWNMXIHZDKR-UHFFFAOYSA-N
XLogP1.13
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.13
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 N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide (CID 7693050) is N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide is Cc1cc(C)n2nc(CC(=O)NNC(=O)COc3cccc(C)c3C)nc2n1.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide?
The InChIKey is BLCRWNMXIHZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-11-6-5-7-15(14(11)4)28-10-18(27)23-22-17(26)9-16-21-19-20-12(2)8-13(3)25(19)24-16/h5-8H,9-10H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide?
N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide has a molecular weight of 382.42 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetohydrazide is sourced from PubChem (CID 7693050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).