6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine

C14H14N10 — CID 166605581

IUPAC6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine
SMILESc1cn2cnnc2c(N2CCN(c3ncnc4nc[nH]c34)CC2)n1
InChIInChI=1S/C14H14N10/c1-2-24-9-20-21-14(24)13(15-1)23-5-3-22(4-6-23)12-10-11(17-7-16-10)18-8-19-12/h1-2,7-9H,3-6H2,(H,16,17,18,19)
InChIKeyYAYUKJWEECOATN-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.12
Rot. Bonds2

About 6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine

6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine (PubChem CID 166605581) has the molecular formula C14H14N10 and a molecular weight of 322.34 g/mol. Its IUPAC name is 6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine
PubChem CID166605581
Molecular FormulaC14H14N10
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC Name6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine
SMILESc1cn2cnnc2c(N2CCN(c3ncnc4nc[nH]c34)CC2)n1
InChIInChI=1S/C14H14N10/c1-2-24-9-20-21-14(24)13(15-1)23-5-3-22(4-6-23)12-10-11(17-7-16-10)18-8-19-12/h1-2,7-9H,3-6H2,(H,16,17,18,19)
InChIKeyYAYUKJWEECOATN-UHFFFAOYSA-N
XLogP0.12
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine?
The IUPAC name of 6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine (CID 166605581) is 6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine.
What is the SMILES notation for 6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine?
The canonical SMILES for 6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine is c1cn2cnnc2c(N2CCN(c3ncnc4nc[nH]c34)CC2)n1.
What is the InChIKey of 6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine?
The InChIKey is YAYUKJWEECOATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N10/c1-2-24-9-20-21-14(24)13(15-1)23-5-3-22(4-6-23)12-10-11(17-7-16-10)18-8-19-12/h1-2,7-9H,3-6H2,(H,16,17,18,19).
What are the key properties of 6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine?
6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine has a molecular weight of 322.34 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine is sourced from PubChem (CID 166605581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).