3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine

C11H15N5 — CID 62690629

IUPAC3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc2nnc(CC3CCCNC3)n2c1
InChIInChI=1S/C11H15N5/c1-3-9(8-12-4-1)7-10-14-15-11-13-5-2-6-16(10)11/h2,5-6,9,12H,1,3-4,7-8H2
InChIKeyVIIIWSNMIORHOS-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.67
Rot. Bonds2

About 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine

3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 62690629) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID62690629
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc2nnc(CC3CCCNC3)n2c1
InChIInChI=1S/C11H15N5/c1-3-9(8-12-4-1)7-10-14-15-11-13-5-2-6-16(10)11/h2,5-6,9,12H,1,3-4,7-8H2
InChIKeyVIIIWSNMIORHOS-UHFFFAOYSA-N
XLogP0.67
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470150
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 62690462
3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 62216041
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329
6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139379
3-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 80518981
N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine
CID 60837241
3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
CID 136758156
1-bromo-8-methyl-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254803
3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253044
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141091

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine (CID 62690629) is 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine is c1cnc2nnc(CC3CCCNC3)n2c1.
What is the InChIKey of 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is VIIIWSNMIORHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-3-9(8-12-4-1)7-10-14-15-11-13-5-2-6-16(10)11/h2,5-6,9,12H,1,3-4,7-8H2.
What are the key properties of 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 217.28 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 62690629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).