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

C13H19N5O — CID 94672064

IUPAC5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(N3CCC(C)CC3)[nH]n2c(=O)c1C
InChIInChI=1S/C13H19N5O/c1-8-4-6-17(7-5-8)13-15-12-14-10(3)9(2)11(19)18(12)16-13/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyQHZDUEVLCSNKKU-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.27
Rot. Bonds1

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

5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 94672064) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID94672064
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(N3CCC(C)CC3)[nH]n2c(=O)c1C
InChIInChI=1S/C13H19N5O/c1-8-4-6-17(7-5-8)13-15-12-14-10(3)9(2)11(19)18(12)16-13/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyQHZDUEVLCSNKKU-UHFFFAOYSA-N
XLogP1.27
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 94672064) is 5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(N3CCC(C)CC3)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QHZDUEVLCSNKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-4-6-17(7-5-8)13-15-12-14-10(3)9(2)11(19)18(12)16-13/h8H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 261.33 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 94672064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).