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

C19H27N5O2 — CID 50750339

IUPAC2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone
SMILESCc1nc2nc(C3CCCCC3)nn2c(C)c1CC(=O)N1CCOCC1
InChIInChI=1S/C19H27N5O2/c1-13-16(12-17(25)23-8-10-26-11-9-23)14(2)24-19(20-13)21-18(22-24)15-6-4-3-5-7-15/h15H,3-12H2,1-2H3
InChIKeyAUUYADVCXKFCAR-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.19
Rot. Bonds3

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

2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone (PubChem CID 50750339) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone
PubChem CID50750339
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone
SMILESCc1nc2nc(C3CCCCC3)nn2c(C)c1CC(=O)N1CCOCC1
InChIInChI=1S/C19H27N5O2/c1-13-16(12-17(25)23-8-10-26-11-9-23)14(2)24-19(20-13)21-18(22-24)15-6-4-3-5-7-15/h15H,3-12H2,1-2H3
InChIKeyAUUYADVCXKFCAR-UHFFFAOYSA-N
XLogP2.19
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-morpholin-4-ylethanone?
The IUPAC name of 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone (CID 50750339) is 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone is Cc1nc2nc(C3CCCCC3)nn2c(C)c1CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone?
The InChIKey is AUUYADVCXKFCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13-16(12-17(25)23-8-10-26-11-9-23)14(2)24-19(20-13)21-18(22-24)15-6-4-3-5-7-15/h15H,3-12H2,1-2H3.
What are the key properties of 2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone?
2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylethanone has a molecular weight of 357.46 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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-morpholin-4-ylethanone is sourced from PubChem (CID 50750339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).