4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline

C17H16N8 — CID 166605547

IUPAC4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline
SMILESc1ccc2c(N3CCN(c4nccn5cnnc45)CC3)ncnc2c1
InChIInChI=1S/C17H16N8/c1-2-4-14-13(3-1)15(20-11-19-14)23-7-9-24(10-8-23)16-17-22-21-12-25(17)6-5-18-16/h1-6,11-12H,7-10H2
InChIKeyAIQLZDLCAANOPR-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.39
Rot. Bonds2

About 4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline

4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline (PubChem CID 166605547) has the molecular formula C17H16N8 and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline
PubChem CID166605547
Molecular FormulaC17H16N8
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline
SMILESc1ccc2c(N3CCN(c4nccn5cnnc45)CC3)ncnc2c1
InChIInChI=1S/C17H16N8/c1-2-4-14-13(3-1)15(20-11-19-14)23-7-9-24(10-8-23)16-17-22-21-12-25(17)6-5-18-16/h1-6,11-12H,7-10H2
InChIKeyAIQLZDLCAANOPR-UHFFFAOYSA-N
XLogP1.39
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline (CID 166605547) is 4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline is c1ccc2c(N3CCN(c4nccn5cnnc45)CC3)ncnc2c1.
What is the InChIKey of 4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline?
The InChIKey is AIQLZDLCAANOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8/c1-2-4-14-13(3-1)15(20-11-19-14)23-7-9-24(10-8-23)16-17-22-21-12-25(17)6-5-18-16/h1-6,11-12H,7-10H2.
What are the key properties of 4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline?
4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline has a molecular weight of 332.37 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 166605547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).