5-butyl-1-propyltetrazole

C8H16N4 — CID 18408614

IUPAC5-butyl-1-propyltetrazole
SMILESCCCCc1nnnn1CCC
InChIInChI=1S/C8H16N4/c1-3-5-6-8-9-10-11-12(8)7-4-2/h3-7H2,1-2H3
InChIKeyUBHCBNARLFSCGQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.43
Rot. Bonds5

About 5-butyl-1-propyltetrazole

5-butyl-1-propyltetrazole (PubChem CID 18408614) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-butyl-1-propyltetrazole.

Molecular Properties

Compound Name5-butyl-1-propyltetrazole
PubChem CID18408614
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-butyl-1-propyltetrazole
SMILESCCCCc1nnnn1CCC
InChIInChI=1S/C8H16N4/c1-3-5-6-8-9-10-11-12(8)7-4-2/h3-7H2,1-2H3
InChIKeyUBHCBNARLFSCGQ-UHFFFAOYSA-N
XLogP1.43
TPSA43.60 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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-propyltetrazole?
The IUPAC name of 5-butyl-1-propyltetrazole (CID 18408614) is 5-butyl-1-propyltetrazole.
What is the SMILES notation for 5-butyl-1-propyltetrazole?
The canonical SMILES for 5-butyl-1-propyltetrazole is CCCCc1nnnn1CCC.
What is the InChIKey of 5-butyl-1-propyltetrazole?
The InChIKey is UBHCBNARLFSCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-5-6-8-9-10-11-12(8)7-4-2/h3-7H2,1-2H3.
What are the key properties of 5-butyl-1-propyltetrazole?
5-butyl-1-propyltetrazole has a molecular weight of 168.24 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-propyltetrazole is sourced from PubChem (CID 18408614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).