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

C23H29N5O — CID 50750150

IUPAC2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)nc3nc(C4CCCCC4)nn3c2C)cc1C
InChIInChI=1S/C23H29N5O/c1-14-10-11-19(12-15(14)2)25-21(29)13-20-16(3)24-23-26-22(27-28(23)17(20)4)18-8-6-5-7-9-18/h10-12,18H,5-9,13H2,1-4H3,(H,25,29)
InChIKeyBZGOAUAKDBGHCV-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.59
Rot. Bonds4

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

2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 50750150) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID50750150
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)nc3nc(C4CCCCC4)nn3c2C)cc1C
InChIInChI=1S/C23H29N5O/c1-14-10-11-19(12-15(14)2)25-21(29)13-20-16(3)24-23-26-22(27-28(23)17(20)4)18-8-6-5-7-9-18/h10-12,18H,5-9,13H2,1-4H3,(H,25,29)
InChIKeyBZGOAUAKDBGHCV-UHFFFAOYSA-N
XLogP4.59
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide (CID 50750150) is 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cc2c(C)nc3nc(C4CCCCC4)nn3c2C)cc1C.
What is the InChIKey of 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is BZGOAUAKDBGHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-14-10-11-19(12-15(14)2)25-21(29)13-20-16(3)24-23-26-22(27-28(23)17(20)4)18-8-6-5-7-9-18/h10-12,18H,5-9,13H2,1-4H3,(H,25,29).
What are the key properties of 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 391.52 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 50750150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).