1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine

C12H24N6 — CID 648606

IUPAC1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C12H24N6/c1-5-16-6-8-17(9-7-16)10-11-13-14-15-18(11)12(2,3)4/h5-10H2,1-4H3
InChIKeyATHCMIKVAJTWEQ-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.57
Rot. Bonds3

About 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine

1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine (PubChem CID 648606) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine
PubChem CID648606
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C12H24N6/c1-5-16-6-8-17(9-7-16)10-11-13-14-15-18(11)12(2,3)4/h5-10H2,1-4H3
InChIKeyATHCMIKVAJTWEQ-UHFFFAOYSA-N
XLogP0.57
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine (CID 648606) is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine is CCN1CCN(Cc2nnnn2C(C)(C)C)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine?
The InChIKey is ATHCMIKVAJTWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-5-16-6-8-17(9-7-16)10-11-13-14-15-18(11)12(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine?
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine has a molecular weight of 252.37 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 648606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).