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

C20H22N8O — CID 55518875

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H22N8O/c1-13-17(14(2)28-20(24-13)25-19(21)26-28)10-18(29)22-9-8-15-11-23-27(12-15)16-6-4-3-5-7-16/h3-7,11-12H,8-10H2,1-2H3,(H2,21,26)(H,22,29)
InChIKeyWXTSWOFQETWMMY-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.41
Rot. Bonds6

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

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 55518875) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID55518875
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H22N8O/c1-13-17(14(2)28-20(24-13)25-19(21)26-28)10-18(29)22-9-8-15-11-23-27(12-15)16-6-4-3-5-7-16/h3-7,11-12H,8-10H2,1-2H3,(H2,21,26)(H,22,29)
InChIKeyWXTSWOFQETWMMY-UHFFFAOYSA-N
XLogP1.41
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16615026
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 17410046
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-benzylsulfanylethyl)acetamide
CID 17405103
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 24551138
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17415546
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
CID 24551090
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide
CID 47091745
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611

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-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 55518875) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is WXTSWOFQETWMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-13-17(14(2)28-20(24-13)25-19(21)26-28)10-18(29)22-9-8-15-11-23-27(12-15)16-6-4-3-5-7-16/h3-7,11-12H,8-10H2,1-2H3,(H2,21,26)(H,22,29).
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 390.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 55518875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).