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

C12H22N6O — CID 650052

IUPAC2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCn1nnnc1CN1CCN2CCCC2C1
InChIInChI=1S/C12H22N6O/c1-19-8-7-18-12(13-14-15-18)10-16-5-6-17-4-2-3-11(17)9-16/h11H,2-10H2,1H3
InChIKeyBPGIYMVEJAEXBK-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.40
Rot. Bonds5

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

2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 650052) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID650052
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCn1nnnc1CN1CCN2CCCC2C1
InChIInChI=1S/C12H22N6O/c1-19-8-7-18-12(13-14-15-18)10-16-5-6-17-4-2-3-11(17)9-16/h11H,2-10H2,1H3
InChIKeyBPGIYMVEJAEXBK-UHFFFAOYSA-N
XLogP-0.40
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 650052) is 2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is COCCn1nnnc1CN1CCN2CCCC2C1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is BPGIYMVEJAEXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-19-8-7-18-12(13-14-15-18)10-16-5-6-17-4-2-3-11(17)9-16/h11H,2-10H2,1H3.
What are the key properties of 2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 266.35 g/mol, XLogP of -0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 650052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).