3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide

C20H25N5O — CID 39757211

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
SMILESCCc1ccc(CN(C)C(=O)CCc2c(C)nc3ncnn3c2C)cc1
InChIInChI=1S/C20H25N5O/c1-5-16-6-8-17(9-7-16)12-24(4)19(26)11-10-18-14(2)23-20-21-13-22-25(20)15(18)3/h6-9,13H,5,10-12H2,1-4H3
InChIKeyPRLWDBFZNQRHLZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.89
Rot. Bonds6

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide (PubChem CID 39757211) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
PubChem CID39757211
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
SMILESCCc1ccc(CN(C)C(=O)CCc2c(C)nc3ncnn3c2C)cc1
InChIInChI=1S/C20H25N5O/c1-5-16-6-8-17(9-7-16)12-24(4)19(26)11-10-18-14(2)23-20-21-13-22-25(20)15(18)3/h6-9,13H,5,10-12H2,1-4H3
InChIKeyPRLWDBFZNQRHLZ-UHFFFAOYSA-N
XLogP2.89
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 18113388
N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 32589926
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8819714
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 17395261
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8817908
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 24514629
N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55557536
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 51200959
N-(4-butylphenyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 9404148
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylpropanamide
CID 50963931
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 24551816

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide (CID 39757211) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide is CCc1ccc(CN(C)C(=O)CCc2c(C)nc3ncnn3c2C)cc1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
The InChIKey is PRLWDBFZNQRHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-5-16-6-8-17(9-7-16)12-24(4)19(26)11-10-18-14(2)23-20-21-13-22-25(20)15(18)3/h6-9,13H,5,10-12H2,1-4H3.
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 39757211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).