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

C22H21N5O2 — CID 33251166

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H21N5O2/c1-15-18(16(2)27-22(25-15)23-14-24-27)12-13-21(28)26-19-10-6-7-11-20(19)29-17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3,(H,26,28)
InChIKeyJGOGVVXAAYYMFM-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.10
Rot. Bonds6

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide (PubChem CID 33251166) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide
PubChem CID33251166
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H21N5O2/c1-15-18(16(2)27-22(25-15)23-14-24-27)12-13-21(28)26-19-10-6-7-11-20(19)29-17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3,(H,26,28)
InChIKeyJGOGVVXAAYYMFM-UHFFFAOYSA-N
XLogP4.10
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide
CID 60557251
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-hydroxyphenyl)propanamide
CID 51284456
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-phenylphenyl)propanamide
CID 9404077
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 9404851
N-(2-aminoethyl)-2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzamide
CID 120603731
N'-[2-(2-chlorophenoxy)acetyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanehydrazide
CID 9427887
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 47064558
N-(2-methoxyphenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 122175613
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide
CID 55900334
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 55886579
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 20863535
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-methyl-2-pyridinyl)propanamide
CID 3241346

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-phenoxyphenyl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide (CID 33251166) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide?
The InChIKey is JGOGVVXAAYYMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-18(16(2)27-22(25-15)23-14-24-27)12-13-21(28)26-19-10-6-7-11-20(19)29-17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3,(H,26,28).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide has a molecular weight of 387.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-phenoxyphenyl)propanamide is sourced from PubChem (CID 33251166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).