5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C24H25N3O2S — CID 70820364

IUPAC5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCc1c2n(ccc1=O)N(C1c3ccccc3CCc3ccsc31)CN(C(C)C)C2=O
InChIInChI=1S/C24H25N3O2S/c1-15(2)25-14-27(26-12-10-20(28)16(3)21(26)24(25)29)22-19-7-5-4-6-17(19)8-9-18-11-13-30-23(18)22/h4-7,10-13,15,22H,8-9,14H2,1-3H3
InChIKeyVAQNAPNYRPCEGR-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.87
Rot. Bonds2

About 5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 70820364) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID70820364
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCc1c2n(ccc1=O)N(C1c3ccccc3CCc3ccsc31)CN(C(C)C)C2=O
InChIInChI=1S/C24H25N3O2S/c1-15(2)25-14-27(26-12-10-20(28)16(3)21(26)24(25)29)22-19-7-5-4-6-17(19)8-9-18-11-13-30-23(18)22/h4-7,10-13,15,22H,8-9,14H2,1-3H3
InChIKeyVAQNAPNYRPCEGR-UHFFFAOYSA-N
XLogP3.87
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 70820364) is 5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is Cc1c2n(ccc1=O)N(C1c3ccccc3CCc3ccsc31)CN(C(C)C)C2=O.
What is the InChIKey of 5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is VAQNAPNYRPCEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-15(2)25-14-27(26-12-10-20(28)16(3)21(26)24(25)29)22-19-7-5-4-6-17(19)8-9-18-11-13-30-23(18)22/h4-7,10-13,15,22H,8-9,14H2,1-3H3.
What are the key properties of 5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 419.55 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-1-(4-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 70820364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).