2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione

C20H16ClN5O4 — CID 139486617

IUPAC2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione
SMILESO=c1c2cccc(=O)n2cnn1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C20H16ClN5O4/c21-14-6-4-12(5-7-14)16-8-13(10-29-16)19-23-17(30-24-19)9-26-20(28)15-2-1-3-18(27)25(15)11-22-26/h1-7,11,13,16H,8-10H2/t13-,16+/m0/s1
InChIKeyADSGDRJGOSICMK-XJKSGUPXSA-N
MW425.83 g/mol
LogP2.19
Rot. Bonds4

About 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione

2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione (PubChem CID 139486617) has the molecular formula C20H16ClN5O4 and a molecular weight of 425.83 g/mol. Its IUPAC name is 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione.

Molecular Properties

Compound Name2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione
PubChem CID139486617
Molecular FormulaC20H16ClN5O4
Molecular Weight425.83 g/mol
Exact Mass425.09
IUPAC Name2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione
SMILESO=c1c2cccc(=O)n2cnn1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C20H16ClN5O4/c21-14-6-4-12(5-7-14)16-8-13(10-29-16)19-23-17(30-24-19)9-26-20(28)15-2-1-3-18(27)25(15)11-22-26/h1-7,11,13,16H,8-10H2/t13-,16+/m0/s1
InChIKeyADSGDRJGOSICMK-XJKSGUPXSA-N
XLogP2.19
TPSA104.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.83
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione with MolForge

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Related Compounds

US10710994, Example 94
CID 139486607
US10710994, Example 83
CID 139494963
US10710994, Example 46
CID 139486445
US10710994, Example 47
CID 139486457
US10710994, Example 9
CID 139486476
US10710994, Example 73
CID 139486483
US10710994, Example 49
CID 139486485
US10710994, Example 111
CID 139486488
US10710994, Example 153
CID 139486492
US10710994, Example 98
CID 139486522
US10710994, Example 128
CID 139486552
US10710994, Example 88
CID 139486560

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione?
The IUPAC name of 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione (CID 139486617) is 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione.
What is the SMILES notation for 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione?
The canonical SMILES for 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione is O=c1c2cccc(=O)n2cnn1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1.
What is the InChIKey of 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione?
The InChIKey is ADSGDRJGOSICMK-XJKSGUPXSA-N. The full InChI is InChI=1S/C20H16ClN5O4/c21-14-6-4-12(5-7-14)16-8-13(10-29-16)19-23-17(30-24-19)9-26-20(28)15-2-1-3-18(27)25(15)11-22-26/h1-7,11,13,16H,8-10H2/t13-,16+/m0/s1.
What are the key properties of 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione?
2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione has a molecular weight of 425.83 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione is sourced from PubChem (CID 139486617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).