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

C15H20N8O2 — CID 133323129

IUPAC2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCc1cc(Nc2cnn(CC(=O)NCCOC)c2)n2ncnc2n1
InChIInChI=1S/C15H20N8O2/c1-3-11-6-13(23-15(21-11)17-10-19-23)20-12-7-18-22(8-12)9-14(24)16-4-5-25-2/h6-8,10,20H,3-5,9H2,1-2H3,(H,16,24)
InChIKeyLYQBSRFVFQWIAA-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.39
Rot. Bonds8

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

2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 133323129) has the molecular formula C15H20N8O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID133323129
Molecular FormulaC15H20N8O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCc1cc(Nc2cnn(CC(=O)NCCOC)c2)n2ncnc2n1
InChIInChI=1S/C15H20N8O2/c1-3-11-6-13(23-15(21-11)17-10-19-23)20-12-7-18-22(8-12)9-14(24)16-4-5-25-2/h6-8,10,20H,3-5,9H2,1-2H3,(H,16,24)
InChIKeyLYQBSRFVFQWIAA-UHFFFAOYSA-N
XLogP0.39
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133275891
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133271384
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602
ethyl (2R,3S)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutanoate
CID 99798308
N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433997
propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 133325494
(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide
CID 119800898
4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 119333445
3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 56815508
4-bromo-N-[2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]benzamide
CID 133270227
ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133363441
N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433978

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide (CID 133323129) is 2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide is CCc1cc(Nc2cnn(CC(=O)NCCOC)c2)n2ncnc2n1.
What is the InChIKey of 2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is LYQBSRFVFQWIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O2/c1-3-11-6-13(23-15(21-11)17-10-19-23)20-12-7-18-22(8-12)9-14(24)16-4-5-25-2/h6-8,10,20H,3-5,9H2,1-2H3,(H,16,24).
What are the key properties of 2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 344.38 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 133323129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).