3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide

C21H19N5O2S — CID 75490067

IUPAC3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESO=C(CCc1nnc2ccccn2c1=O)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H19N5O2S/c27-19(10-9-16-21(28)26-13-5-4-8-18(26)25-24-16)22-12-11-20-23-17(14-29-20)15-6-2-1-3-7-15/h1-8,13-14H,9-12H2,(H,22,27)
InChIKeyUPNWFORKAGMBCW-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.50
Rot. Bonds7

About 3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide

3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 75490067) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID75490067
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESO=C(CCc1nnc2ccccn2c1=O)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H19N5O2S/c27-19(10-9-16-21(28)26-13-5-4-8-18(26)25-24-16)22-12-11-20-23-17(14-29-20)15-6-2-1-3-7-15/h1-8,13-14H,9-12H2,(H,22,27)
InChIKeyUPNWFORKAGMBCW-UHFFFAOYSA-N
XLogP2.50
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 75490067) is 3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is O=C(CCc1nnc2ccccn2c1=O)NCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is UPNWFORKAGMBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c27-19(10-9-16-21(28)26-13-5-4-8-18(26)25-24-16)22-12-11-20-23-17(14-29-20)15-6-2-1-3-7-15/h1-8,13-14H,9-12H2,(H,22,27).
What are the key properties of 3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 405.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 75490067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).