5-ethyl-5-propyltetrazole

C6H12N4 — CID 69383982

IUPAC5-ethyl-5-propyltetrazole
SMILESCCCC1(CC)N=NN=N1
InChIInChI=1S/C6H12N4/c1-3-5-6(4-2)7-9-10-8-6/h3-5H2,1-2H3
InChIKeyPAMZBAUYMHSKAP-UHFFFAOYSA-N
MW140.19 g/mol
LogP2.73
Rot. Bonds3

About 5-ethyl-5-propyltetrazole

5-ethyl-5-propyltetrazole (PubChem CID 69383982) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-ethyl-5-propyltetrazole.

Molecular Properties

Compound Name5-ethyl-5-propyltetrazole
PubChem CID69383982
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name5-ethyl-5-propyltetrazole
SMILESCCCC1(CC)N=NN=N1
InChIInChI=1S/C6H12N4/c1-3-5-6(4-2)7-9-10-8-6/h3-5H2,1-2H3
InChIKeyPAMZBAUYMHSKAP-UHFFFAOYSA-N
XLogP2.73
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-propyltetrazole?
The IUPAC name of 5-ethyl-5-propyltetrazole (CID 69383982) is 5-ethyl-5-propyltetrazole.
What is the SMILES notation for 5-ethyl-5-propyltetrazole?
The canonical SMILES for 5-ethyl-5-propyltetrazole is CCCC1(CC)N=NN=N1.
What is the InChIKey of 5-ethyl-5-propyltetrazole?
The InChIKey is PAMZBAUYMHSKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-5-6(4-2)7-9-10-8-6/h3-5H2,1-2H3.
What are the key properties of 5-ethyl-5-propyltetrazole?
5-ethyl-5-propyltetrazole has a molecular weight of 140.19 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-propyltetrazole is sourced from PubChem (CID 69383982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).