5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C12H17N5 — CID 53017023

IUPAC5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCCCC2)c1C
InChIInChI=1S/C12H17N5/c1-9-10(2)15-12-13-8-14-17(12)11(9)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3
InChIKeyTWGPTVNBQWEXJO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.73
Rot. Bonds1

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

5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53017023) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53017023
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(N2CCCCC2)c1C
InChIInChI=1S/C12H17N5/c1-9-10(2)15-12-13-8-14-17(12)11(9)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3
InChIKeyTWGPTVNBQWEXJO-UHFFFAOYSA-N
XLogP1.73
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53017023) is 5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(N2CCCCC2)c1C.
What is the InChIKey of 5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is TWGPTVNBQWEXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-10(2)15-12-13-8-14-17(12)11(9)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3.
What are the key properties of 5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 1.73, 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-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53017023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).