2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide

C17H20N6O2 — CID 43936064

IUPAC2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCn1nnc2c(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)cnc21
InChIInChI=1S/C17H20N6O2/c1-5-23-16-15(20-21-23)17(25)22(9-18-16)8-13(24)19-14-11(3)6-10(2)7-12(14)4/h6-7,9H,5,8H2,1-4H3,(H,19,24)
InChIKeyJUNXFDJPNVRGJV-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.57
Rot. Bonds4

About 2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 43936064) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID43936064
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCn1nnc2c(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)cnc21
InChIInChI=1S/C17H20N6O2/c1-5-23-16-15(20-21-23)17(25)22(9-18-16)8-13(24)19-14-11(3)6-10(2)7-12(14)4/h6-7,9H,5,8H2,1-4H3,(H,19,24)
InChIKeyJUNXFDJPNVRGJV-UHFFFAOYSA-N
XLogP1.57
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-methoxyphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20869733
2-[3-[(3,5-difluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51047497
2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43936078
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53014407
N-(4-methylphenyl)-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869366
N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869538
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30693258
2-[3-[(3-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,4-dimethylphenyl)acetamide
CID 45030209
2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(4-methylphenyl)acetamide
CID 7111071
2-[3-[(3,5-difluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030271
N-(2-chloro-4-methylphenyl)-2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 45030151
2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45030171

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 43936064) is 2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide is CCn1nnc2c(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)cnc21.
What is the InChIKey of 2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is JUNXFDJPNVRGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-5-23-16-15(20-21-23)17(25)22(9-18-16)8-13(24)19-14-11(3)6-10(2)7-12(14)4/h6-7,9H,5,8H2,1-4H3,(H,19,24).
What are the key properties of 2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 340.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 43936064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).