N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide

C17H20N6O — CID 133287938

IUPACN-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide
SMILESCCc1cc(NCCc2ccc(NC(C)=O)cc2)n2ncnc2n1
InChIInChI=1S/C17H20N6O/c1-3-14-10-16(23-17(22-14)19-11-20-23)18-9-8-13-4-6-15(7-5-13)21-12(2)24/h4-7,10-11,18H,3,8-9H2,1-2H3,(H,21,24)
InChIKeyYMYZSPLWSXPWNK-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.30
Rot. Bonds6

About N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide

N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide (PubChem CID 133287938) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide
PubChem CID133287938
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide
SMILESCCc1cc(NCCc2ccc(NC(C)=O)cc2)n2ncnc2n1
InChIInChI=1S/C17H20N6O/c1-3-14-10-16(23-17(22-14)19-11-20-23)18-9-8-13-4-6-15(7-5-13)21-12(2)24/h4-7,10-11,18H,3,8-9H2,1-2H3,(H,21,24)
InChIKeyYMYZSPLWSXPWNK-UHFFFAOYSA-N
XLogP2.30
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133316336
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 133325494
(2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide
CID 97252623
5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154743615
ethyl (2R,3S)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutanoate
CID 99798308
ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133363441
1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353221
5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039075
5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide
CID 133406988

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide (CID 133287938) is N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide is CCc1cc(NCCc2ccc(NC(C)=O)cc2)n2ncnc2n1.
What is the InChIKey of N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is YMYZSPLWSXPWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-3-14-10-16(23-17(22-14)19-11-20-23)18-9-8-13-4-6-15(7-5-13)21-12(2)24/h4-7,10-11,18H,3,8-9H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide?
N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 324.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 133287938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).