3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide

C16H22N8O — CID 118784581

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCCn1cnnc1CCNC(=O)CCc1c(C)nc2ncnn2c1C
InChIInChI=1S/C16H22N8O/c1-4-23-10-19-22-14(23)7-8-17-15(25)6-5-13-11(2)21-16-18-9-20-24(16)12(13)3/h9-10H,4-8H2,1-3H3,(H,17,25)
InChIKeyGROYKXLVJZXJBF-UHFFFAOYSA-N
MW342.41 g/mol
LogP0.64
Rot. Bonds7

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 118784581) has the molecular formula C16H22N8O and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID118784581
Molecular FormulaC16H22N8O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCCn1cnnc1CCNC(=O)CCc1c(C)nc2ncnn2c1C
InChIInChI=1S/C16H22N8O/c1-4-23-10-19-22-14(23)7-8-17-15(25)6-5-13-11(2)21-16-18-9-20-24(16)12(13)3/h9-10H,4-8H2,1-3H3,(H,17,25)
InChIKeyGROYKXLVJZXJBF-UHFFFAOYSA-N
XLogP0.64
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930032
N-butyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 18106246
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide
CID 20863517
N-[2-(4-aminophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 119547739
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538607
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157120
N-[2-(cyclohexen-1-yl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 3235776
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
CID 9404425
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
N-(2-amino-2-methylpropyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide;hydrochloride
CID 119626416
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 17426060
N-[3-(benzimidazol-1-yl)propyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 51222002

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide (CID 118784581) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide is CCn1cnnc1CCNC(=O)CCc1c(C)nc2ncnn2c1C.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is GROYKXLVJZXJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O/c1-4-23-10-19-22-14(23)7-8-17-15(25)6-5-13-11(2)21-16-18-9-20-24(16)12(13)3/h9-10H,4-8H2,1-3H3,(H,17,25).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 342.41 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 118784581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).