2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C13H24N6 — CID 3193587

IUPAC2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)n1nnnc1CN1CCN2CCCC2C1
InChIInChI=1S/C13H24N6/c1-13(2,3)19-12(14-15-16-19)10-17-7-8-18-6-4-5-11(18)9-17/h11H,4-10H2,1-3H3
InChIKeyDJRGZYISUAXTOK-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.71
Rot. Bonds2

About 2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 3193587) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID3193587
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)n1nnnc1CN1CCN2CCCC2C1
InChIInChI=1S/C13H24N6/c1-13(2,3)19-12(14-15-16-19)10-17-7-8-18-6-4-5-11(18)9-17/h11H,4-10H2,1-3H3
InChIKeyDJRGZYISUAXTOK-UHFFFAOYSA-N
XLogP0.71
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 3193587) is 2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC(C)(C)n1nnnc1CN1CCN2CCCC2C1.
What is the InChIKey of 2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is DJRGZYISUAXTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-13(2,3)19-12(14-15-16-19)10-17-7-8-18-6-4-5-11(18)9-17/h11H,4-10H2,1-3H3.
What are the key properties of 2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 264.38 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyltetrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 3193587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).