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

C17H25N5O — CID 3237142

IUPACN-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(C)n2nc(CC(=O)NC3CCCCCCC3)nc2n1
InChIInChI=1S/C17H25N5O/c1-12-10-13(2)22-17(18-12)20-15(21-22)11-16(23)19-14-8-6-4-3-5-7-9-14/h10,14H,3-9,11H2,1-2H3,(H,19,23)
InChIKeyLZCIOZNVSNGHIN-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.51
Rot. Bonds3

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

N-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 3237142) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID3237142
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(C)n2nc(CC(=O)NC3CCCCCCC3)nc2n1
InChIInChI=1S/C17H25N5O/c1-12-10-13(2)22-17(18-12)20-15(21-22)11-16(23)19-14-8-6-4-3-5-7-9-14/h10,14H,3-9,11H2,1-2H3,(H,19,23)
InChIKeyLZCIOZNVSNGHIN-UHFFFAOYSA-N
XLogP2.51
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 3237142) is N-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is Cc1cc(C)n2nc(CC(=O)NC3CCCCCCC3)nc2n1.
What is the InChIKey of N-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is LZCIOZNVSNGHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-10-13(2)22-17(18-12)20-15(21-22)11-16(23)19-14-8-6-4-3-5-7-9-14/h10,14H,3-9,11H2,1-2H3,(H,19,23).
What are the key properties of N-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 3237142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).