N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide

C16H16ClN5O2 — CID 23607340

IUPACN-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide
SMILESCc1nc2nc(NC(=O)C(C)Oc3ccccc3)nn2c(C)c1Cl
InChIInChI=1S/C16H16ClN5O2/c1-9-13(17)10(2)22-16(18-9)20-15(21-22)19-14(23)11(3)24-12-7-5-4-6-8-12/h4-8,11H,1-3H3,(H,19,21,23)
InChIKeyFDASTPBAFXYRFG-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.80
Rot. Bonds4

About N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide

N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide (PubChem CID 23607340) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide
PubChem CID23607340
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide
SMILESCc1nc2nc(NC(=O)C(C)Oc3ccccc3)nn2c(C)c1Cl
InChIInChI=1S/C16H16ClN5O2/c1-9-13(17)10(2)22-16(18-9)20-15(21-22)19-14(23)11(3)24-12-7-5-4-6-8-12/h4-8,11H,1-3H3,(H,19,21,23)
InChIKeyFDASTPBAFXYRFG-UHFFFAOYSA-N
XLogP2.80
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Chloro-5,7-dimethyl-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 935042
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 8057131
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide
CID 6473417
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)-2-(2-fluorophenoxy)acetamide
CID 71805381
N-({6-Chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}methyl)-2-phenoxy-N-phenylacetamide
CID 50748932
N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 24515187
N'-[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 24546312
N-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-2-phenoxyacetamide
CID 25643881
2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 38934831
2-(2-chloro-4-fluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 51139867
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
CID 51173016
[2-[[2-(4,6-Dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 55317337

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide?
The IUPAC name of N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide (CID 23607340) is N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide is Cc1nc2nc(NC(=O)C(C)Oc3ccccc3)nn2c(C)c1Cl.
What is the InChIKey of N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide?
The InChIKey is FDASTPBAFXYRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-9-13(17)10(2)22-16(18-9)20-15(21-22)19-14(23)11(3)24-12-7-5-4-6-8-12/h4-8,11H,1-3H3,(H,19,21,23).
What are the key properties of N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide?
N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide has a molecular weight of 345.79 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide is sourced from PubChem (CID 23607340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).