1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

C10H18N6O — CID 107047285

IUPAC1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCN1CCN(C)C(C(=O)Cc2nnn(C)n2)C1
InChIInChI=1S/C10H18N6O/c1-14-4-5-15(2)8(7-14)9(17)6-10-11-13-16(3)12-10/h8H,4-7H2,1-3H3
InChIKeySBUQZMRJULWWQL-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.43
Rot. Bonds3

About 1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047285) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047285
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCN1CCN(C)C(C(=O)Cc2nnn(C)n2)C1
InChIInChI=1S/C10H18N6O/c1-14-4-5-15(2)8(7-14)9(17)6-10-11-13-16(3)12-10/h8H,4-7H2,1-3H3
InChIKeySBUQZMRJULWWQL-UHFFFAOYSA-N
XLogP-1.43
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047285) is 1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is CN1CCN(C)C(C(=O)Cc2nnn(C)n2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is SBUQZMRJULWWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-14-4-5-15(2)8(7-14)9(17)6-10-11-13-16(3)12-10/h8H,4-7H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of -1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).