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

C12H23ClN6O — CID 6602561

IUPAC2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;hydrochloride
SMILESCOCCn1nnnc1CN1CCN2CCCC2C1.Cl
InChIInChI=1S/C12H22N6O.ClH/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;1H
InChIKeyRFAAYDILGPOVDF-UHFFFAOYSA-N
MW302.81 g/mol
LogP0.02
Rot. Bonds5

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

2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;hydrochloride (PubChem CID 6602561) has the molecular formula C12H23ClN6O and a molecular weight of 302.81 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;hydrochloride.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;hydrochloride
PubChem CID6602561
Molecular FormulaC12H23ClN6O
Molecular Weight302.81 g/mol
Exact Mass302.16
IUPAC Name2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;hydrochloride
SMILESCOCCn1nnnc1CN1CCN2CCCC2C1.Cl
InChIInChI=1S/C12H22N6O.ClH/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;1H
InChIKeyRFAAYDILGPOVDF-UHFFFAOYSA-N
XLogP0.02
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 50.02
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;hydrochloride?
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;hydrochloride (CID 6602561) is 2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;hydrochloride.
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;hydrochloride?
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;hydrochloride is COCCn1nnnc1CN1CCN2CCCC2C1.Cl.
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;hydrochloride?
The InChIKey is RFAAYDILGPOVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O.ClH/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;1H.
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;hydrochloride?
2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 0.02, 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;hydrochloride is sourced from PubChem (CID 6602561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).