2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide

C14H20N6O4 — CID 75526173

IUPAC2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
SMILESO=C(CC1NC(=O)NC1=O)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C14H20N6O4/c21-11(8-9-12(22)17-13(23)16-9)15-5-3-7-20-14(24)19-6-2-1-4-10(19)18-20/h9H,1-8H2,(H,15,21)(H2,16,17,22,23)
InChIKeyIKODIGGPCYPTEJ-UHFFFAOYSA-N
MW336.35 g/mol
LogP-1.51
Rot. Bonds6

About 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide

2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide (PubChem CID 75526173) has the molecular formula C14H20N6O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
PubChem CID75526173
Molecular FormulaC14H20N6O4
Molecular Weight336.35 g/mol
Exact Mass336.15
IUPAC Name2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
SMILESO=C(CC1NC(=O)NC1=O)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C14H20N6O4/c21-11(8-9-12(22)17-13(23)16-9)15-5-3-7-20-14(24)19-6-2-1-4-10(19)18-20/h9H,1-8H2,(H,15,21)(H2,16,17,22,23)
InChIKeyIKODIGGPCYPTEJ-UHFFFAOYSA-N
XLogP-1.51
TPSA127.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide (CID 75526173) is 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide is O=C(CC1NC(=O)NC1=O)NCCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
The InChIKey is IKODIGGPCYPTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O4/c21-11(8-9-12(22)17-13(23)16-9)15-5-3-7-20-14(24)19-6-2-1-4-10(19)18-20/h9H,1-8H2,(H,15,21)(H2,16,17,22,23).
What are the key properties of 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide?
2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide has a molecular weight of 336.35 g/mol, XLogP of -1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide is sourced from PubChem (CID 75526173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).