(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine

C10H20N6 — CID 59511255

IUPAC(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2nnnn2C(C)(C)C)CCN1
InChIInChI=1S/C10H20N6/c1-8-7-15(6-5-11-8)9-12-13-14-16(9)10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyDXSQFUFIAILWRG-MRVPVSSYSA-N
MW224.31 g/mol
LogP0.23
Rot. Bonds1

About (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine

(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine (PubChem CID 59511255) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine
PubChem CID59511255
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2nnnn2C(C)(C)C)CCN1
InChIInChI=1S/C10H20N6/c1-8-7-15(6-5-11-8)9-12-13-14-16(9)10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyDXSQFUFIAILWRG-MRVPVSSYSA-N
XLogP0.23
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine?
The IUPAC name of (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine (CID 59511255) is (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine?
The canonical SMILES for (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine is C[C@@H]1CN(c2nnnn2C(C)(C)C)CCN1.
What is the InChIKey of (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine?
The InChIKey is DXSQFUFIAILWRG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N6/c1-8-7-15(6-5-11-8)9-12-13-14-16(9)10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine?
(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine has a molecular weight of 224.31 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine is sourced from PubChem (CID 59511255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).