5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C14H21N5 — CID 79816638

IUPAC5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(CCC3CCCCN3)n2c(C)n1
InChIInChI=1S/C14H21N5/c1-10-9-14-18-17-13(19(14)11(2)16-10)7-6-12-5-3-4-8-15-12/h9,12,15H,3-8H2,1-2H3
InChIKeyAAKBCXBKZKTOHL-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.82
Rot. Bonds3

About 5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine

5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 79816638) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID79816638
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(CCC3CCCCN3)n2c(C)n1
InChIInChI=1S/C14H21N5/c1-10-9-14-18-17-13(19(14)11(2)16-10)7-6-12-5-3-4-8-15-12/h9,12,15H,3-8H2,1-2H3
InChIKeyAAKBCXBKZKTOHL-UHFFFAOYSA-N
XLogP1.82
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 55107637
4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716590
2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 62722485
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334
5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192
5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole
CID 82149965
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71638393
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine
CID 79816526
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
4-methyl-6-(2-pyrrolidin-2-ylethyl)pyrimidine
CID 83858553

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 79816638) is 5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cc2nnc(CCC3CCCCN3)n2c(C)n1.
What is the InChIKey of 5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is AAKBCXBKZKTOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10-9-14-18-17-13(19(14)11(2)16-10)7-6-12-5-3-4-8-15-12/h9,12,15H,3-8H2,1-2H3.
What are the key properties of 5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 259.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 79816638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).