(2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine

C11H22N6 — CID 82714015

IUPAC(2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine
SMILESCCCCn1nnnc1CN1CCNC[C@@H]1C
InChIInChI=1S/C11H22N6/c1-3-4-6-17-11(13-14-15-17)9-16-7-5-12-8-10(16)2/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyFGCVXPAHTLFGIR-JTQLQIEISA-N
MW238.34 g/mol
LogP0.27
Rot. Bonds5

About (2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine

(2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine (PubChem CID 82714015) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is (2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine
PubChem CID82714015
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name(2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine
SMILESCCCCn1nnnc1CN1CCNC[C@@H]1C
InChIInChI=1S/C11H22N6/c1-3-4-6-17-11(13-14-15-17)9-16-7-5-12-8-10(16)2/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyFGCVXPAHTLFGIR-JTQLQIEISA-N
XLogP0.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine?
The IUPAC name of (2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine (CID 82714015) is (2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine?
The canonical SMILES for (2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine is CCCCn1nnnc1CN1CCNC[C@@H]1C.
What is the InChIKey of (2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine?
The InChIKey is FGCVXPAHTLFGIR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N6/c1-3-4-6-17-11(13-14-15-17)9-16-7-5-12-8-10(16)2/h10,12H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine?
(2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine has a molecular weight of 238.34 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine is sourced from PubChem (CID 82714015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).