2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide

C21H22N6O — CID 17483850

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N6O/c1-12(16-9-8-15-6-4-5-7-17(15)10-16)23-19(28)11-18-13(2)24-21-25-20(22)26-27(21)14(18)3/h4-10,12H,11H2,1-3H3,(H2,22,26)(H,23,28)
InChIKeyQRYYNFXGSBHIHE-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.90
Rot. Bonds4

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide (PubChem CID 17483850) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide
PubChem CID17483850
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N6O/c1-12(16-9-8-15-6-4-5-7-17(15)10-16)23-19(28)11-18-13(2)24-21-25-20(22)26-27(21)14(18)3/h4-10,12H,11H2,1-3H3,(H2,22,26)(H,23,28)
InChIKeyQRYYNFXGSBHIHE-UHFFFAOYSA-N
XLogP2.90
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 24544012
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 51644301
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599157
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 134012980
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 46432757
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 55395340
2-(2,6-dichlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7899735
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 17414679
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295859
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 30098832
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 43067902
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17415546

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide (CID 17483850) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide is Cc1nc2nc(N)nn2c(C)c1CC(=O)NC(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
The InChIKey is QRYYNFXGSBHIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-12(16-9-8-15-6-4-5-7-17(15)10-16)23-19(28)11-18-13(2)24-21-25-20(22)26-27(21)14(18)3/h4-10,12H,11H2,1-3H3,(H2,22,26)(H,23,28).
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide has a molecular weight of 374.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 17483850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).