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

C10H14N6 — CID 62310658

IUPAC3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc2nnc(CN3CCNCC3)n2c1
InChIInChI=1S/C10H14N6/c1-2-12-10-14-13-9(16(10)5-1)8-15-6-3-11-4-7-15/h1-2,5,11H,3-4,6-8H2
InChIKeyHGRNMDFPLHHTCD-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.47
Rot. Bonds2

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

3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 62310658) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID62310658
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc2nnc(CN3CCNCC3)n2c1
InChIInChI=1S/C10H14N6/c1-2-12-10-14-13-9(16(10)5-1)8-15-6-3-11-4-7-15/h1-2,5,11H,3-4,6-8H2
InChIKeyHGRNMDFPLHHTCD-UHFFFAOYSA-N
XLogP-0.47
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine (CID 62310658) is 3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine is c1cnc2nnc(CN3CCNCC3)n2c1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is HGRNMDFPLHHTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-2-12-10-14-13-9(16(10)5-1)8-15-6-3-11-4-7-15/h1-2,5,11H,3-4,6-8H2.
What are the key properties of 3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 218.26 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 62310658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).