1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine

C13H26N6 — CID 134582733

IUPAC1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine
SMILESCN1CCN(CCCn2nnc(C(C)(C)C)n2)CC1
InChIInChI=1S/C13H26N6/c1-13(2,3)12-14-16-19(15-12)7-5-6-18-10-8-17(4)9-11-18/h5-11H2,1-4H3
InChIKeyOACFGEBDINUPKI-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.61
Rot. Bonds4

About 1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine

1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine (PubChem CID 134582733) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine
PubChem CID134582733
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine
SMILESCN1CCN(CCCn2nnc(C(C)(C)C)n2)CC1
InChIInChI=1S/C13H26N6/c1-13(2,3)12-14-16-19(15-12)7-5-6-18-10-8-17(4)9-11-18/h5-11H2,1-4H3
InChIKeyOACFGEBDINUPKI-UHFFFAOYSA-N
XLogP0.61
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine (CID 134582733) is 1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine is CN1CCN(CCCn2nnc(C(C)(C)C)n2)CC1.
What is the InChIKey of 1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine?
The InChIKey is OACFGEBDINUPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-13(2,3)12-14-16-19(15-12)7-5-6-18-10-8-17(4)9-11-18/h5-11H2,1-4H3.
What are the key properties of 1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine?
1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine has a molecular weight of 266.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine is sourced from PubChem (CID 134582733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).