1-tert-butyltetrazole

C5H10N4 — CID 642209

IUPAC1-tert-butyltetrazole
SMILESCC(C)(C)n1cnnn1
InChIInChI=1S/C5H10N4/c1-5(2,3)9-4-6-7-8-9/h4H,1-3H3
InChIKeyLIPNKVIYXXBICY-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.43
Rot. Bonds

About 1-tert-butyltetrazole

1-tert-butyltetrazole (PubChem CID 642209) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-tert-butyltetrazole.

Molecular Properties

Compound Name1-tert-butyltetrazole
PubChem CID642209
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1-tert-butyltetrazole
SMILESCC(C)(C)n1cnnn1
InChIInChI=1S/C5H10N4/c1-5(2,3)9-4-6-7-8-9/h4H,1-3H3
InChIKeyLIPNKVIYXXBICY-UHFFFAOYSA-N
XLogP0.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyltetrazole?
The IUPAC name of 1-tert-butyltetrazole (CID 642209) is 1-tert-butyltetrazole.
What is the SMILES notation for 1-tert-butyltetrazole?
The canonical SMILES for 1-tert-butyltetrazole is CC(C)(C)n1cnnn1.
What is the InChIKey of 1-tert-butyltetrazole?
The InChIKey is LIPNKVIYXXBICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-5(2,3)9-4-6-7-8-9/h4H,1-3H3.
What are the key properties of 1-tert-butyltetrazole?
1-tert-butyltetrazole has a molecular weight of 126.16 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyltetrazole is sourced from PubChem (CID 642209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).