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

C9H18N6 — CID 84781316

IUPAC1-[(2-propyltetrazol-5-yl)methyl]piperazine
SMILESCCCn1nnc(CN2CCNCC2)n1
InChIInChI=1S/C9H18N6/c1-2-5-15-12-9(11-13-15)8-14-6-3-10-4-7-14/h10H,2-8H2,1H3
InChIKeyVKQBUVYCBKGRLC-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.51
Rot. Bonds4

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

1-[(2-propyltetrazol-5-yl)methyl]piperazine (PubChem CID 84781316) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(2-propyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-propyltetrazol-5-yl)methyl]piperazine
PubChem CID84781316
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1-[(2-propyltetrazol-5-yl)methyl]piperazine
SMILESCCCn1nnc(CN2CCNCC2)n1
InChIInChI=1S/C9H18N6/c1-2-5-15-12-9(11-13-15)8-14-6-3-10-4-7-14/h10H,2-8H2,1H3
InChIKeyVKQBUVYCBKGRLC-UHFFFAOYSA-N
XLogP-0.51
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 ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-propyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-[(2-propyltetrazol-5-yl)methyl]piperazine (CID 84781316) is 1-[(2-propyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2-propyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-[(2-propyltetrazol-5-yl)methyl]piperazine is CCCn1nnc(CN2CCNCC2)n1.
What is the InChIKey of 1-[(2-propyltetrazol-5-yl)methyl]piperazine?
The InChIKey is VKQBUVYCBKGRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-2-5-15-12-9(11-13-15)8-14-6-3-10-4-7-14/h10H,2-8H2,1H3.
What are the key properties of 1-[(2-propyltetrazol-5-yl)methyl]piperazine?
1-[(2-propyltetrazol-5-yl)methyl]piperazine has a molecular weight of 210.28 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 84781316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).