1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine

C12H24N6 — CID 63909068

IUPAC1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine
SMILESCCCCn1nnnc1CN1C(C)CNCC1C
InChIInChI=1S/C12H24N6/c1-4-5-6-18-12(14-15-16-18)9-17-10(2)7-13-8-11(17)3/h10-11,13H,4-9H2,1-3H3
InChIKeyAHJNUXXEBNHKQX-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.66
Rot. Bonds5

About 1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine

1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine (PubChem CID 63909068) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine
PubChem CID63909068
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine
SMILESCCCCn1nnnc1CN1C(C)CNCC1C
InChIInChI=1S/C12H24N6/c1-4-5-6-18-12(14-15-16-18)9-17-10(2)7-13-8-11(17)3/h10-11,13H,4-9H2,1-3H3
InChIKeyAHJNUXXEBNHKQX-UHFFFAOYSA-N
XLogP0.66
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine (CID 63909068) is 1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine is CCCCn1nnnc1CN1C(C)CNCC1C.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine?
The InChIKey is AHJNUXXEBNHKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-4-5-6-18-12(14-15-16-18)9-17-10(2)7-13-8-11(17)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine?
1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine has a molecular weight of 252.37 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine is sourced from PubChem (CID 63909068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).