3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C20H24N6O — CID 133478319

IUPAC3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(OCCN2CCN(c3nccn4c(C5CC5)nnc34)CC2)cc1
InChIInChI=1S/C20H24N6O/c1-2-4-17(5-3-1)27-15-14-24-10-12-25(13-11-24)19-20-23-22-18(16-6-7-16)26(20)9-8-21-19/h1-5,8-9,16H,6-7,10-15H2
InChIKeyJJRFUQPROFMRTM-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.20
Rot. Bonds6

About 3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 133478319) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID133478319
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(OCCN2CCN(c3nccn4c(C5CC5)nnc34)CC2)cc1
InChIInChI=1S/C20H24N6O/c1-2-4-17(5-3-1)27-15-14-24-10-12-25(13-11-24)19-20-23-22-18(16-6-7-16)26(20)9-8-21-19/h1-5,8-9,16H,6-7,10-15H2
InChIKeyJJRFUQPROFMRTM-UHFFFAOYSA-N
XLogP2.20
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 133478319) is 3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is c1ccc(OCCN2CCN(c3nccn4c(C5CC5)nnc34)CC2)cc1.
What is the InChIKey of 3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JJRFUQPROFMRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-4-17(5-3-1)27-15-14-24-10-12-25(13-11-24)19-20-23-22-18(16-6-7-16)26(20)9-8-21-19/h1-5,8-9,16H,6-7,10-15H2.
What are the key properties of 3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 364.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 133478319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).