1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione

C16H20N4O3 — CID 171406838

IUPAC1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(N3CCN[C@H]4COC[C@H]43)cc2)C(=O)N1
InChIInChI=1S/C16H20N4O3/c21-15-5-7-20(16(22)18-15)12-3-1-11(2-4-12)19-8-6-17-13-9-23-10-14(13)19/h1-4,13-14,17H,5-10H2,(H,18,21,22)/t13-,14+/m0/s1
InChIKeyIHGSWJBONLONDZ-UONOGXRCSA-N
MW316.36 g/mol
LogP0.31
Rot. Bonds2

About 1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione

1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 171406838) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID171406838
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(N3CCN[C@H]4COC[C@H]43)cc2)C(=O)N1
InChIInChI=1S/C16H20N4O3/c21-15-5-7-20(16(22)18-15)12-3-1-11(2-4-12)19-8-6-17-13-9-23-10-14(13)19/h1-4,13-14,17H,5-10H2,(H,18,21,22)/t13-,14+/m0/s1
InChIKeyIHGSWJBONLONDZ-UONOGXRCSA-N
XLogP0.31
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione (CID 171406838) is 1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(N3CCN[C@H]4COC[C@H]43)cc2)C(=O)N1.
What is the InChIKey of 1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is IHGSWJBONLONDZ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-15-5-7-20(16(22)18-15)12-3-1-11(2-4-12)19-8-6-17-13-9-23-10-14(13)19/h1-4,13-14,17H,5-10H2,(H,18,21,22)/t13-,14+/m0/s1.
What are the key properties of 1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione?
1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171406838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).