1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C13H18N8O — CID 90649088

IUPAC1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCc1cnc(C)c(N2CCN(C(=O)Cn3cnnn3)CC2)n1
InChIInChI=1S/C13H18N8O/c1-10-7-14-11(2)13(16-10)20-5-3-19(4-6-20)12(22)8-21-9-15-17-18-21/h7,9H,3-6,8H2,1-2H3
InChIKeyFESZZWNRYMIRMH-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.57
Rot. Bonds3

About 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 90649088) has the molecular formula C13H18N8O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID90649088
Molecular FormulaC13H18N8O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCc1cnc(C)c(N2CCN(C(=O)Cn3cnnn3)CC2)n1
InChIInChI=1S/C13H18N8O/c1-10-7-14-11(2)13(16-10)20-5-3-19(4-6-20)12(22)8-21-9-15-17-18-21/h7,9H,3-6,8H2,1-2H3
InChIKeyFESZZWNRYMIRMH-UHFFFAOYSA-N
XLogP-0.57
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 90649088) is 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is Cc1cnc(C)c(N2CCN(C(=O)Cn3cnnn3)CC2)n1.
What is the InChIKey of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is FESZZWNRYMIRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8O/c1-10-7-14-11(2)13(16-10)20-5-3-19(4-6-20)12(22)8-21-9-15-17-18-21/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 302.34 g/mol, XLogP of -0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 90649088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).