8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C9H13N7 — CID 77230784

IUPAC8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESNc1nc2c(N3CCNCC3)nccn2n1
InChIInChI=1S/C9H13N7/c10-9-13-8-7(12-3-6-16(8)14-9)15-4-1-11-2-5-15/h3,6,11H,1-2,4-5H2,(H2,10,14)
InChIKeyOCKTTZSUIIMTPA-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.88
Rot. Bonds1

About 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 77230784) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID77230784
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESNc1nc2c(N3CCNCC3)nccn2n1
InChIInChI=1S/C9H13N7/c10-9-13-8-7(12-3-6-16(8)14-9)15-4-1-11-2-5-15/h3,6,11H,1-2,4-5H2,(H2,10,14)
InChIKeyOCKTTZSUIIMTPA-UHFFFAOYSA-N
XLogP-0.88
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 77230784) is 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is Nc1nc2c(N3CCNCC3)nccn2n1.
What is the InChIKey of 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is OCKTTZSUIIMTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c10-9-13-8-7(12-3-6-16(8)14-9)15-4-1-11-2-5-15/h3,6,11H,1-2,4-5H2,(H2,10,14).
What are the key properties of 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 219.25 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 77230784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).