7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine

C9H12N6 — CID 71668927

IUPAC7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cn2cnnc2nc1N1CCNCC1
InChIInChI=1S/C9H12N6/c1-4-15-7-11-13-9(15)12-8(1)14-5-2-10-3-6-14/h1,4,7,10H,2-3,5-6H2
InChIKeyKLXWQLDZLDBDRA-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.47
Rot. Bonds1

About 7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine

7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 71668927) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID71668927
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cn2cnnc2nc1N1CCNCC1
InChIInChI=1S/C9H12N6/c1-4-15-7-11-13-9(15)12-8(1)14-5-2-10-3-6-14/h1,4,7,10H,2-3,5-6H2
InChIKeyKLXWQLDZLDBDRA-UHFFFAOYSA-N
XLogP-0.47
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
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 7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine (CID 71668927) is 7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine is c1cn2cnnc2nc1N1CCNCC1.
What is the InChIKey of 7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is KLXWQLDZLDBDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-4-15-7-11-13-9(15)12-8(1)14-5-2-10-3-6-14/h1,4,7,10H,2-3,5-6H2.
What are the key properties of 7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 204.24 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 71668927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).