1-[3-(5-methyltetrazol-2-yl)propyl]piperazine

C9H18N6 — CID 134351431

IUPAC1-[3-(5-methyltetrazol-2-yl)propyl]piperazine
SMILESCc1nnn(CCCN2CCNCC2)n1
InChIInChI=1S/C9H18N6/c1-9-11-13-15(12-9)6-2-5-14-7-3-10-4-8-14/h10H,2-8H2,1H3
InChIKeyNDJXELJKZVYZOV-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.72
Rot. Bonds4

About 1-[3-(5-methyltetrazol-2-yl)propyl]piperazine

1-[3-(5-methyltetrazol-2-yl)propyl]piperazine (PubChem CID 134351431) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[3-(5-methyltetrazol-2-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(5-methyltetrazol-2-yl)propyl]piperazine
PubChem CID134351431
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1-[3-(5-methyltetrazol-2-yl)propyl]piperazine
SMILESCc1nnn(CCCN2CCNCC2)n1
InChIInChI=1S/C9H18N6/c1-9-11-13-15(12-9)6-2-5-14-7-3-10-4-8-14/h10H,2-8H2,1H3
InChIKeyNDJXELJKZVYZOV-UHFFFAOYSA-N
XLogP-0.72
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyltetrazol-2-yl)propyl]piperazine?
The IUPAC name of 1-[3-(5-methyltetrazol-2-yl)propyl]piperazine (CID 134351431) is 1-[3-(5-methyltetrazol-2-yl)propyl]piperazine.
What is the SMILES notation for 1-[3-(5-methyltetrazol-2-yl)propyl]piperazine?
The canonical SMILES for 1-[3-(5-methyltetrazol-2-yl)propyl]piperazine is Cc1nnn(CCCN2CCNCC2)n1.
What is the InChIKey of 1-[3-(5-methyltetrazol-2-yl)propyl]piperazine?
The InChIKey is NDJXELJKZVYZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-9-11-13-15(12-9)6-2-5-14-7-3-10-4-8-14/h10H,2-8H2,1H3.
What are the key properties of 1-[3-(5-methyltetrazol-2-yl)propyl]piperazine?
1-[3-(5-methyltetrazol-2-yl)propyl]piperazine has a molecular weight of 210.28 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyltetrazol-2-yl)propyl]piperazine is sourced from PubChem (CID 134351431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).