1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine

C14H20N6 — CID 96668613

IUPAC1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine
SMILESCc1cc(C)cc(-n2nnnc2CN2CCNCC2)c1
InChIInChI=1S/C14H20N6/c1-11-7-12(2)9-13(8-11)20-14(16-17-18-20)10-19-5-3-15-4-6-19/h7-9,15H,3-6,10H2,1-2H3
InChIKeyGSIPKKRWNIZGOW-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.68
Rot. Bonds3

About 1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine

1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 96668613) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine
PubChem CID96668613
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine
SMILESCc1cc(C)cc(-n2nnnc2CN2CCNCC2)c1
InChIInChI=1S/C14H20N6/c1-11-7-12(2)9-13(8-11)20-14(16-17-18-20)10-19-5-3-15-4-6-19/h7-9,15H,3-6,10H2,1-2H3
InChIKeyGSIPKKRWNIZGOW-UHFFFAOYSA-N
XLogP0.68
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine (CID 96668613) is 1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine is Cc1cc(C)cc(-n2nnnc2CN2CCNCC2)c1.
What is the InChIKey of 1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is GSIPKKRWNIZGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11-7-12(2)9-13(8-11)20-14(16-17-18-20)10-19-5-3-15-4-6-19/h7-9,15H,3-6,10H2,1-2H3.
What are the key properties of 1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine?
1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 272.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 96668613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).