2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone

C15H20ClN5O — CID 6501315

IUPAC2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc2nc(CC(=O)N3CCC(C)CC3)nn2c(C)c1Cl
InChIInChI=1S/C15H20ClN5O/c1-9-4-6-20(7-5-9)13(22)8-12-18-15-17-10(2)14(16)11(3)21(15)19-12/h9H,4-8H2,1-3H3
InChIKeyBYJLBNCJCCSOIT-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.20
Rot. Bonds2

About 2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone

2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 6501315) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID6501315
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc2nc(CC(=O)N3CCC(C)CC3)nn2c(C)c1Cl
InChIInChI=1S/C15H20ClN5O/c1-9-4-6-20(7-5-9)13(22)8-12-18-15-17-10(2)14(16)11(3)21(15)19-12/h9H,4-8H2,1-3H3
InChIKeyBYJLBNCJCCSOIT-UHFFFAOYSA-N
XLogP2.20
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone (CID 6501315) is 2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone is Cc1nc2nc(CC(=O)N3CCC(C)CC3)nn2c(C)c1Cl.
What is the InChIKey of 2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is BYJLBNCJCCSOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-9-4-6-20(7-5-9)13(22)8-12-18-15-17-10(2)14(16)11(3)21(15)19-12/h9H,4-8H2,1-3H3.
What are the key properties of 2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 321.81 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 6501315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).