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

C13H19N5 — CID 53017019

IUPAC5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCC(C)CC2)c1C
InChIInChI=1S/C13H19N5/c1-9-4-6-17(7-5-9)12-10(2)11(3)16-13-14-8-15-18(12)13/h8-9H,4-7H2,1-3H3
InChIKeyNBWLIYZVYLPICR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.98
Rot. Bonds1

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

5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53017019) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53017019
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCC(C)CC2)c1C
InChIInChI=1S/C13H19N5/c1-9-4-6-17(7-5-9)12-10(2)11(3)16-13-14-8-15-18(12)13/h8-9H,4-7H2,1-3H3
InChIKeyNBWLIYZVYLPICR-UHFFFAOYSA-N
XLogP1.98
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3R,5S)-3,5-dimethylazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 138053520
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 163344567
7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162521895
7-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97066727
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133321302
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 163347900
7-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75373079
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide
CID 154582584
1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133322811
5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874109
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863934

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53017019) is 5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(N2CCC(C)CC2)c1C.
What is the InChIKey of 5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NBWLIYZVYLPICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-4-6-17(7-5-9)12-10(2)11(3)16-13-14-8-15-18(12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 245.33 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53017019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).