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

C13H19N5 — CID 113430954

IUPAC5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1cc(C)n2c(C3(C)CCCCN3)nnc2n1
InChIInChI=1S/C13H19N5/c1-9-8-10(2)18-11(16-17-12(18)15-9)13(3)6-4-5-7-14-13/h8,14H,4-7H2,1-3H3
InChIKeyYVCIQQDEMCUHSW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.73
Rot. Bonds1

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

5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 113430954) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID113430954
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1cc(C)n2c(C3(C)CCCCN3)nnc2n1
InChIInChI=1S/C13H19N5/c1-9-8-10(2)18-11(16-17-12(18)15-9)13(3)6-4-5-7-14-13/h8,14H,4-7H2,1-3H3
InChIKeyYVCIQQDEMCUHSW-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 63144720
ethyl 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopropane-1-carboxylate
CID 79472270
1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]cyclobutan-1-amine
CID 79846479
N,6-dimethyl-2-[(2S)-2-methylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124946836
5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 106743129
2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine
CID 61265141
(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine;dihydrochloride
CID 82025953
5,7-dimethyl-3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79817686
6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole
CID 104595977
5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole
CID 104595944
cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine
CID 54901588
2-(3-fluoro-5-methylphenyl)-2-methylazepane
CID 79704728

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine (CID 113430954) is 5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine is Cc1cc(C)n2c(C3(C)CCCCN3)nnc2n1.
What is the InChIKey of 5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is YVCIQQDEMCUHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-8-10(2)18-11(16-17-12(18)15-9)13(3)6-4-5-7-14-13/h8,14H,4-7H2,1-3H3.
What are the key properties of 5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
5,7-dimethyl-3-(2-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 245.33 g/mol, XLogP of 1.73, 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-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 113430954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).