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

C17H25N5O — CID 3241974

IUPACN-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(C)n2nc(CC(=O)NC3CCCC(C)C3C)nc2n1
InChIInChI=1S/C17H25N5O/c1-10-6-5-7-14(13(10)4)19-16(23)9-15-20-17-18-11(2)8-12(3)22(17)21-15/h8,10,13-14H,5-7,9H2,1-4H3,(H,19,23)
InChIKeyRIJPKCPIJWRPGM-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.22
Rot. Bonds3

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

N-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 3241974) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID3241974
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(C)n2nc(CC(=O)NC3CCCC(C)C3C)nc2n1
InChIInChI=1S/C17H25N5O/c1-10-6-5-7-14(13(10)4)19-16(23)9-15-20-17-18-11(2)8-12(3)22(17)21-15/h8,10,13-14H,5-7,9H2,1-4H3,(H,19,23)
InChIKeyRIJPKCPIJWRPGM-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 3241974) is N-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is Cc1cc(C)n2nc(CC(=O)NC3CCCC(C)C3C)nc2n1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is RIJPKCPIJWRPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-10-6-5-7-14(13(10)4)19-16(23)9-15-20-17-18-11(2)8-12(3)22(17)21-15/h8,10,13-14H,5-7,9H2,1-4H3,(H,19,23).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(2,3-dimethylcyclohexyl)-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 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 3241974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).