5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine

C13H19N5 — CID 106743129

IUPAC5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1cc(C)n2c(C3CCNC(C)C3)nnc2n1
InChIInChI=1S/C13H19N5/c1-8-7-11(4-5-14-8)12-16-17-13-15-9(2)6-10(3)18(12)13/h6,8,11,14H,4-5,7H2,1-3H3
InChIKeyKPIMAUIAZIMFMI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.60
Rot. Bonds1

About 5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine

5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 106743129) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID106743129
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1cc(C)n2c(C3CCNC(C)C3)nnc2n1
InChIInChI=1S/C13H19N5/c1-8-7-11(4-5-14-8)12-16-17-13-15-9(2)6-10(3)18(12)13/h6,8,11,14H,4-5,7H2,1-3H3
InChIKeyKPIMAUIAZIMFMI-UHFFFAOYSA-N
XLogP1.60
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine (CID 106743129) is 5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine is Cc1cc(C)n2c(C3CCNC(C)C3)nnc2n1.
What is the InChIKey of 5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is KPIMAUIAZIMFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8-7-11(4-5-14-8)12-16-17-13-15-9(2)6-10(3)18(12)13/h6,8,11,14H,4-5,7H2,1-3H3.
What are the key properties of 5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 245.33 g/mol, XLogP of 1.60, 1 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-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 106743129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).