N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

C18H20ClN5O — CID 50750372

IUPACN-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCCc1nc2nc(C)c(CC(=O)Nc3cccc(Cl)c3)c(C)n2n1
InChIInChI=1S/C18H20ClN5O/c1-4-6-16-22-18-20-11(2)15(12(3)24(18)23-16)10-17(25)21-14-8-5-7-13(19)9-14/h5,7-9H,4,6,10H2,1-3H3,(H,21,25)
InChIKeyCCAYCRACQXSBLX-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.53
Rot. Bonds5

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

N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 50750372) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID50750372
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC NameN-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCCc1nc2nc(C)c(CC(=O)Nc3cccc(Cl)c3)c(C)n2n1
InChIInChI=1S/C18H20ClN5O/c1-4-6-16-22-18-20-11(2)15(12(3)24(18)23-16)10-17(25)21-14-8-5-7-13(19)9-14/h5,7-9H,4,6,10H2,1-3H3,(H,21,25)
InChIKeyCCAYCRACQXSBLX-UHFFFAOYSA-N
XLogP3.53
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluorophenyl)acetamide
CID 50750342
N-(3-acetylphenyl)-2-(2-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 50749971
N-(2,4-dimethylphenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 50749944
N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603853
[2-(3-chloroanilino)-2-oxoethyl] 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7734491
2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylphenyl)acetamide
CID 50750096
N-(3-chlorophenyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 53045355
2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
CID 4077165
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-ethylphenyl)propanamide
CID 23602220
N-(3-chlorophenyl)-2-[[5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]acetamide
CID 4282166
N-[3-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55585848
2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylphenyl)acetamide
CID 50750027

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 50750372) is N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is CCCc1nc2nc(C)c(CC(=O)Nc3cccc(Cl)c3)c(C)n2n1.
What is the InChIKey of N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is CCAYCRACQXSBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-4-6-16-22-18-20-11(2)15(12(3)24(18)23-16)10-17(25)21-14-8-5-7-13(19)9-14/h5,7-9H,4,6,10H2,1-3H3,(H,21,25).
What are the key properties of N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 357.85 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 50750372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).