7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C8H15N5 — CID 136840343

IUPAC7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)C1CCNc2nnnn21
InChIInChI=1S/C8H15N5/c1-8(2,3)6-4-5-9-7-10-11-12-13(6)7/h6H,4-5H2,1-3H3,(H,9,10,12)
InChIKeyAXGLMYVRSJGZIM-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.08
Rot. Bonds

About 7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136840343) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID136840343
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)C1CCNc2nnnn21
InChIInChI=1S/C8H15N5/c1-8(2,3)6-4-5-9-7-10-11-12-13(6)7/h6H,4-5H2,1-3H3,(H,9,10,12)
InChIKeyAXGLMYVRSJGZIM-UHFFFAOYSA-N
XLogP1.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 136840343) is 7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is CC(C)(C)C1CCNc2nnnn21.
What is the InChIKey of 7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is AXGLMYVRSJGZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-8(2,3)6-4-5-9-7-10-11-12-13(6)7/h6H,4-5H2,1-3H3,(H,9,10,12).
What are the key properties of 7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 181.24 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).