1-[(2-methyltetrazol-5-yl)methyl]piperazine

C7H14N6 — CID 67972465

IUPAC1-[(2-methyltetrazol-5-yl)methyl]piperazine
SMILESCn1nnc(CN2CCNCC2)n1
InChIInChI=1S/C7H14N6/c1-12-10-7(9-11-12)6-13-4-2-8-3-5-13/h8H,2-6H2,1H3
InChIKeyFPBPCJLSIRHWIP-UHFFFAOYSA-N
MW182.23 g/mol
LogP-1.38
Rot. Bonds2

About 1-[(2-methyltetrazol-5-yl)methyl]piperazine

1-[(2-methyltetrazol-5-yl)methyl]piperazine (PubChem CID 67972465) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]piperazine
PubChem CID67972465
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]piperazine
SMILESCn1nnc(CN2CCNCC2)n1
InChIInChI=1S/C7H14N6/c1-12-10-7(9-11-12)6-13-4-2-8-3-5-13/h8H,2-6H2,1H3
InChIKeyFPBPCJLSIRHWIP-UHFFFAOYSA-N
XLogP-1.38
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]piperazine (CID 67972465) is 1-[(2-methyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]piperazine is Cn1nnc(CN2CCNCC2)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]piperazine?
The InChIKey is FPBPCJLSIRHWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-12-10-7(9-11-12)6-13-4-2-8-3-5-13/h8H,2-6H2,1H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]piperazine?
1-[(2-methyltetrazol-5-yl)methyl]piperazine has a molecular weight of 182.23 g/mol, XLogP of -1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 67972465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).