tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate

C14H24N6O2 — CID 136840371

IUPACtert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2CCNc3nnnn32)C1
InChIInChI=1S/C14H24N6O2/c1-14(2,3)22-13(21)19-8-4-5-10(9-19)11-6-7-15-12-16-17-18-20(11)12/h10-11H,4-9H2,1-3H3,(H,15,16,18)
InChIKeyHWPDZYMRGWHJOD-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.68
Rot. Bonds1

About tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate

tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate (PubChem CID 136840371) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
PubChem CID136840371
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Nametert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2CCNc3nnnn32)C1
InChIInChI=1S/C14H24N6O2/c1-14(2,3)22-13(21)19-8-4-5-10(9-19)11-6-7-15-12-16-17-18-20(11)12/h10-11H,4-9H2,1-3H3,(H,15,16,18)
InChIKeyHWPDZYMRGWHJOD-UHFFFAOYSA-N
XLogP1.68
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate (CID 136840371) is tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C2CCNc3nnnn32)C1.
What is the InChIKey of tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The InChIKey is HWPDZYMRGWHJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-14(2,3)22-13(21)19-8-4-5-10(9-19)11-6-7-15-12-16-17-18-20(11)12/h10-11H,4-9H2,1-3H3,(H,15,16,18).
What are the key properties of tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate has a molecular weight of 308.39 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate is sourced from PubChem (CID 136840371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).