5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine

C15H20N8 — CID 129003796

IUPAC5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1nc2cncc(N3CCN(CCn4ccnc4)CC3)n2n1
InChIInChI=1S/C15H20N8/c1-13-18-14-10-17-11-15(23(14)19-13)22-8-6-20(7-9-22)4-5-21-3-2-16-12-21/h2-3,10-12H,4-9H2,1H3
InChIKeyOSEUUIHJMMOLFP-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.45
Rot. Bonds4

About 5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine

5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 129003796) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID129003796
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1nc2cncc(N3CCN(CCn4ccnc4)CC3)n2n1
InChIInChI=1S/C15H20N8/c1-13-18-14-10-17-11-15(23(14)19-13)22-8-6-20(7-9-22)4-5-21-3-2-16-12-21/h2-3,10-12H,4-9H2,1H3
InChIKeyOSEUUIHJMMOLFP-UHFFFAOYSA-N
XLogP0.45
TPSA67.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 129003796) is 5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1nc2cncc(N3CCN(CCn4ccnc4)CC3)n2n1.
What is the InChIKey of 5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is OSEUUIHJMMOLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-13-18-14-10-17-11-15(23(14)19-13)22-8-6-20(7-9-22)4-5-21-3-2-16-12-21/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 312.38 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 129003796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).