2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide

C13H18N6O2 — CID 9224927

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CNC(=O)Cc1c(C)nc2ncnn2c1C
InChIInChI=1S/C13H18N6O2/c1-4-14-12(21)6-15-11(20)5-10-8(2)18-13-16-7-17-19(13)9(10)3/h7H,4-6H2,1-3H3,(H,14,21)(H,15,20)
InChIKeyCSJMUBNMTWRDEY-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.46
Rot. Bonds5

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

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide (PubChem CID 9224927) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
PubChem CID9224927
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CNC(=O)Cc1c(C)nc2ncnn2c1C
InChIInChI=1S/C13H18N6O2/c1-4-14-12(21)6-15-11(20)5-10-8(2)18-13-16-7-17-19(13)9(10)3/h7H,4-6H2,1-3H3,(H,14,21)(H,15,20)
InChIKeyCSJMUBNMTWRDEY-UHFFFAOYSA-N
XLogP-0.46
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163412
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylacetamide
CID 9207602
N-[[4-(dimethylamino)phenyl]methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9305388
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9074040
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25491166
N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide
CID 9033453
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-propan-2-ylpropanamide
CID 20863520
methyl 2-[[2-[4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]phenyl]acetyl]amino]acetate
CID 55781435
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8819591
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 9078398
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
CID 9404425

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide (CID 9224927) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide is CCNC(=O)CNC(=O)Cc1c(C)nc2ncnn2c1C.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The InChIKey is CSJMUBNMTWRDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-4-14-12(21)6-15-11(20)5-10-8(2)18-13-16-7-17-19(13)9(10)3/h7H,4-6H2,1-3H3,(H,14,21)(H,15,20).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide has a molecular weight of 290.33 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 9224927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).