3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine

C11H19N5 — CID 136758156

IUPAC3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESC1CNCC(Cc2nnc3n2CCCN3)C1
InChIInChI=1S/C11H19N5/c1-3-9(8-12-4-1)7-10-14-15-11-13-5-2-6-16(10)11/h9,12H,1-8H2,(H,13,15)
InChIKeyALZPASXUZUYJFO-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.64
Rot. Bonds2

About 3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine

3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 136758156) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID136758156
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESC1CNCC(Cc2nnc3n2CCCN3)C1
InChIInChI=1S/C11H19N5/c1-3-9(8-12-4-1)7-10-14-15-11-13-5-2-6-16(10)11/h9,12H,1-8H2,(H,13,15)
InChIKeyALZPASXUZUYJFO-UHFFFAOYSA-N
XLogP0.64
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 62690629
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 62690462
3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984206
6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139379
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141091
6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470150
6-methyl-3-(pyrrolidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148360
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
CID 105474903
3-ethyl-6-(piperidin-3-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354178
3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]azepane
CID 84676347
2-cyclopropyl-5-(piperidin-3-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136999580

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine (CID 136758156) is 3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine is C1CNCC(Cc2nnc3n2CCCN3)C1.
What is the InChIKey of 3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is ALZPASXUZUYJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-3-9(8-12-4-1)7-10-14-15-11-13-5-2-6-16(10)11/h9,12H,1-8H2,(H,13,15).
What are the key properties of 3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 221.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 136758156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).