5-butyl-5-propyltetrazole

C8H16N4 — CID 69383900

IUPAC5-butyl-5-propyltetrazole
SMILESCCCCC1(CCC)N=NN=N1
InChIInChI=1S/C8H16N4/c1-3-5-7-8(6-4-2)9-11-12-10-8/h3-7H2,1-2H3
InChIKeyPDIHJTMECMHUAM-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.51
Rot. Bonds5

About 5-butyl-5-propyltetrazole

5-butyl-5-propyltetrazole (PubChem CID 69383900) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-butyl-5-propyltetrazole.

Molecular Properties

Compound Name5-butyl-5-propyltetrazole
PubChem CID69383900
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-butyl-5-propyltetrazole
SMILESCCCCC1(CCC)N=NN=N1
InChIInChI=1S/C8H16N4/c1-3-5-7-8(6-4-2)9-11-12-10-8/h3-7H2,1-2H3
InChIKeyPDIHJTMECMHUAM-UHFFFAOYSA-N
XLogP3.51
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-propyltetrazole?
The IUPAC name of 5-butyl-5-propyltetrazole (CID 69383900) is 5-butyl-5-propyltetrazole.
What is the SMILES notation for 5-butyl-5-propyltetrazole?
The canonical SMILES for 5-butyl-5-propyltetrazole is CCCCC1(CCC)N=NN=N1.
What is the InChIKey of 5-butyl-5-propyltetrazole?
The InChIKey is PDIHJTMECMHUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-5-7-8(6-4-2)9-11-12-10-8/h3-7H2,1-2H3.
What are the key properties of 5-butyl-5-propyltetrazole?
5-butyl-5-propyltetrazole has a molecular weight of 168.24 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-propyltetrazole is sourced from PubChem (CID 69383900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).