5-propan-2-yl-5-propyltetrazole

C7H14N4 — CID 69386081

IUPAC5-propan-2-yl-5-propyltetrazole
SMILESCCCC1(C(C)C)N=NN=N1
InChIInChI=1S/C7H14N4/c1-4-5-7(6(2)3)8-10-11-9-7/h6H,4-5H2,1-3H3
InChIKeyRKBAIUBQIYKNBI-UHFFFAOYSA-N
MW154.22 g/mol
LogP2.97
Rot. Bonds3

About 5-propan-2-yl-5-propyltetrazole

5-propan-2-yl-5-propyltetrazole (PubChem CID 69386081) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-propan-2-yl-5-propyltetrazole.

Molecular Properties

Compound Name5-propan-2-yl-5-propyltetrazole
PubChem CID69386081
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-propan-2-yl-5-propyltetrazole
SMILESCCCC1(C(C)C)N=NN=N1
InChIInChI=1S/C7H14N4/c1-4-5-7(6(2)3)8-10-11-9-7/h6H,4-5H2,1-3H3
InChIKeyRKBAIUBQIYKNBI-UHFFFAOYSA-N
XLogP2.97
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-5-propyltetrazole?
The IUPAC name of 5-propan-2-yl-5-propyltetrazole (CID 69386081) is 5-propan-2-yl-5-propyltetrazole.
What is the SMILES notation for 5-propan-2-yl-5-propyltetrazole?
The canonical SMILES for 5-propan-2-yl-5-propyltetrazole is CCCC1(C(C)C)N=NN=N1.
What is the InChIKey of 5-propan-2-yl-5-propyltetrazole?
The InChIKey is RKBAIUBQIYKNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-4-5-7(6(2)3)8-10-11-9-7/h6H,4-5H2,1-3H3.
What are the key properties of 5-propan-2-yl-5-propyltetrazole?
5-propan-2-yl-5-propyltetrazole has a molecular weight of 154.22 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-5-propyltetrazole is sourced from PubChem (CID 69386081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).