2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine

C13H20N8 — CID 68757582

IUPAC2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine
SMILESCC(C)(C)N1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1
InChIInChI=1S/C13H20N8/c1-13(2,3)21-6-4-20(5-7-21)11-9-14-10(8-15-11)12-16-18-19-17-12/h8-9H,4-7H2,1-3H3,(H,16,17,18,19)
InChIKeyWEKKKHAERAKKEM-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.58
Rot. Bonds2

About 2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine

2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine (PubChem CID 68757582) has the molecular formula C13H20N8 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine
PubChem CID68757582
Molecular FormulaC13H20N8
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine
SMILESCC(C)(C)N1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1
InChIInChI=1S/C13H20N8/c1-13(2,3)21-6-4-20(5-7-21)11-9-14-10(8-15-11)12-16-18-19-17-12/h8-9H,4-7H2,1-3H3,(H,16,17,18,19)
InChIKeyWEKKKHAERAKKEM-UHFFFAOYSA-N
XLogP0.58
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine (CID 68757582) is 2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine is CC(C)(C)N1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine?
The InChIKey is WEKKKHAERAKKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8/c1-13(2,3)21-6-4-20(5-7-21)11-9-14-10(8-15-11)12-16-18-19-17-12/h8-9H,4-7H2,1-3H3,(H,16,17,18,19).
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine?
2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine has a molecular weight of 288.36 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-5-(2H-tetrazol-5-yl)pyrazine is sourced from PubChem (CID 68757582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).