2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone

C20H29N5O — CID 50750308

IUPAC2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone
SMILESCc1nc2nc(C3CCCCC3)nn2c(C)c1CC(=O)N1CCCCC1
InChIInChI=1S/C20H29N5O/c1-14-17(13-18(26)24-11-7-4-8-12-24)15(2)25-20(21-14)22-19(23-25)16-9-5-3-6-10-16/h16H,3-13H2,1-2H3
InChIKeyIOFOKQVJDMJBCC-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.34
Rot. Bonds3

About 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone

2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone (PubChem CID 50750308) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone
PubChem CID50750308
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone
SMILESCc1nc2nc(C3CCCCC3)nn2c(C)c1CC(=O)N1CCCCC1
InChIInChI=1S/C20H29N5O/c1-14-17(13-18(26)24-11-7-4-8-12-24)15(2)25-20(21-14)22-19(23-25)16-9-5-3-6-10-16/h16H,3-13H2,1-2H3
InChIKeyIOFOKQVJDMJBCC-UHFFFAOYSA-N
XLogP3.34
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
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)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone (CID 50750308) is 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone is Cc1nc2nc(C3CCCCC3)nn2c(C)c1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone?
The InChIKey is IOFOKQVJDMJBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14-17(13-18(26)24-11-7-4-8-12-24)15(2)25-20(21-14)22-19(23-25)16-9-5-3-6-10-16/h16H,3-13H2,1-2H3.
What are the key properties of 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone?
2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylethanone has a molecular weight of 355.49 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 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)-1-piperidin-1-ylethanone is sourced from PubChem (CID 50750308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).