1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine

C15H30N6 — CID 652637

IUPAC1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C15H30N6/c1-7-15(4,5)21-14(16-17-18-21)13(12(2)3)20-10-8-19(6)9-11-20/h12-13H,7-11H2,1-6H3
InChIKeyGBBZCRIEPDMVJZ-UHFFFAOYSA-N
MW294.45 g/mol
LogP1.76
Rot. Bonds5

About 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine

1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine (PubChem CID 652637) has the molecular formula C15H30N6 and a molecular weight of 294.45 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
PubChem CID652637
Molecular FormulaC15H30N6
Molecular Weight294.45 g/mol
Exact Mass294.25
IUPAC Name1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C15H30N6/c1-7-15(4,5)21-14(16-17-18-21)13(12(2)3)20-10-8-19(6)9-11-20/h12-13H,7-11H2,1-6H3
InChIKeyGBBZCRIEPDMVJZ-UHFFFAOYSA-N
XLogP1.76
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine (CID 652637) is 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine is CCC(C)(C)n1nnnc1C(C(C)C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine?
The InChIKey is GBBZCRIEPDMVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6/c1-7-15(4,5)21-14(16-17-18-21)13(12(2)3)20-10-8-19(6)9-11-20/h12-13H,7-11H2,1-6H3.
What are the key properties of 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine?
1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine has a molecular weight of 294.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine is sourced from PubChem (CID 652637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).