5-tert-butyl-1-cyclopropyltetrazole

C8H14N4 — CID 59442744

IUPAC5-tert-butyl-1-cyclopropyltetrazole
SMILESCC(C)(C)c1nnnn1C1CC1
InChIInChI=1S/C8H14N4/c1-8(2,3)7-9-10-11-12(7)6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyCOEGAOFQCPFVCE-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.31
Rot. Bonds1

About 5-tert-butyl-1-cyclopropyltetrazole

5-tert-butyl-1-cyclopropyltetrazole (PubChem CID 59442744) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-tert-butyl-1-cyclopropyltetrazole.

Molecular Properties

Compound Name5-tert-butyl-1-cyclopropyltetrazole
PubChem CID59442744
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-tert-butyl-1-cyclopropyltetrazole
SMILESCC(C)(C)c1nnnn1C1CC1
InChIInChI=1S/C8H14N4/c1-8(2,3)7-9-10-11-12(7)6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyCOEGAOFQCPFVCE-UHFFFAOYSA-N
XLogP1.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-cyclopropyltetrazole?
The IUPAC name of 5-tert-butyl-1-cyclopropyltetrazole (CID 59442744) is 5-tert-butyl-1-cyclopropyltetrazole.
What is the SMILES notation for 5-tert-butyl-1-cyclopropyltetrazole?
The canonical SMILES for 5-tert-butyl-1-cyclopropyltetrazole is CC(C)(C)c1nnnn1C1CC1.
What is the InChIKey of 5-tert-butyl-1-cyclopropyltetrazole?
The InChIKey is COEGAOFQCPFVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-8(2,3)7-9-10-11-12(7)6-4-5-6/h6H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-1-cyclopropyltetrazole?
5-tert-butyl-1-cyclopropyltetrazole has a molecular weight of 166.23 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-cyclopropyltetrazole is sourced from PubChem (CID 59442744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).