2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide

C22H27N5O2 — CID 16674489

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide
SMILESCOc1ccc(C2(NC(=O)Cc3nc4nc(C)cc(C)n4n3)CCCCC2)cc1
InChIInChI=1S/C22H27N5O2/c1-15-13-16(2)27-21(23-15)24-19(26-27)14-20(28)25-22(11-5-4-6-12-22)17-7-9-18(29-3)10-8-17/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,25,28)
InChIKeyVZVGEWSEUKUFTM-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.27
Rot. Bonds5

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide (PubChem CID 16674489) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide
PubChem CID16674489
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide
SMILESCOc1ccc(C2(NC(=O)Cc3nc4nc(C)cc(C)n4n3)CCCCC2)cc1
InChIInChI=1S/C22H27N5O2/c1-15-13-16(2)27-21(23-15)24-19(26-27)14-20(28)25-22(11-5-4-6-12-22)17-7-9-18(29-3)10-8-17/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,25,28)
InChIKeyVZVGEWSEUKUFTM-UHFFFAOYSA-N
XLogP3.27
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3242709
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 119068950
3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
CID 110478988
trans-methyl (1R,2R)-2-[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]cycloheptane-1-carboxylate
CID 97053822
N-[1-(4-methoxyphenyl)cyclohexyl]-2-methylpropanamide
CID 110478522
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 110893825
N-[(S)-cyclohexyl(phenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 51956546
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 50950633
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide (CID 16674489) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide is COc1ccc(C2(NC(=O)Cc3nc4nc(C)cc(C)n4n3)CCCCC2)cc1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide?
The InChIKey is VZVGEWSEUKUFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-13-16(2)27-21(23-15)24-19(26-27)14-20(28)25-22(11-5-4-6-12-22)17-7-9-18(29-3)10-8-17/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,25,28).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide is sourced from PubChem (CID 16674489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).