4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline

C16H17F2N7 — CID 143957733

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline
SMILESCc1cc2c(nc(N3CCN4CCCC4C3)c3nnnn32)c(F)c1F
InChIInChI=1S/C16H17F2N7/c1-9-7-11-14(13(18)12(9)17)19-15(16-20-21-22-25(11)16)24-6-5-23-4-2-3-10(23)8-24/h7,10H,2-6,8H2,1H3
InChIKeyUQNKPJUNAQGPDZ-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.54
Rot. Bonds1

About 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline (PubChem CID 143957733) has the molecular formula C16H17F2N7 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline
PubChem CID143957733
Molecular FormulaC16H17F2N7
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline
SMILESCc1cc2c(nc(N3CCN4CCCC4C3)c3nnnn32)c(F)c1F
InChIInChI=1S/C16H17F2N7/c1-9-7-11-14(13(18)12(9)17)19-15(16-20-21-22-25(11)16)24-6-5-23-4-2-3-10(23)8-24/h7,10H,2-6,8H2,1H3
InChIKeyUQNKPJUNAQGPDZ-UHFFFAOYSA-N
XLogP1.54
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline (CID 143957733) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline is Cc1cc2c(nc(N3CCN4CCCC4C3)c3nnnn32)c(F)c1F.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline?
The InChIKey is UQNKPJUNAQGPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N7/c1-9-7-11-14(13(18)12(9)17)19-15(16-20-21-22-25(11)16)24-6-5-23-4-2-3-10(23)8-24/h7,10H,2-6,8H2,1H3.
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline has a molecular weight of 345.36 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,7-difluoro-8-methyltetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 143957733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).