5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione

C10H13N5O3 — CID 166036165

IUPAC5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(n2nc3n(c2=O)CCCC3)C(=O)N1
InChIInChI=1S/C10H13N5O3/c16-8-6(5-11-9(17)12-8)15-10(18)14-4-2-1-3-7(14)13-15/h6H,1-5H2,(H2,11,12,16,17)
InChIKeyWBBGPZVMKIHRPW-UHFFFAOYSA-N
MW251.25 g/mol
LogP-1.24
Rot. Bonds1

About 5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione

5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione (PubChem CID 166036165) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione
PubChem CID166036165
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(n2nc3n(c2=O)CCCC3)C(=O)N1
InChIInChI=1S/C10H13N5O3/c16-8-6(5-11-9(17)12-8)15-10(18)14-4-2-1-3-7(14)13-15/h6H,1-5H2,(H2,11,12,16,17)
InChIKeyWBBGPZVMKIHRPW-UHFFFAOYSA-N
XLogP-1.24
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 110876298
2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
CID 90868092
6-[(1-Acetylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 24234232
2,4-Dimethyl-6-[(1-methylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione
CID 43410518
2,4-Dimethyl-6-(piperidin-4-ylamino)-1,2,4-triazine-3,5-dione
CID 43646890
2,4-Dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione
CID 60666970
6-[(1-Ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60667028
4-[(2,3,4,5-Tetrahydro-2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-1-piperidineacetamide
CID 60753922
2-(2-Oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62935781
2-(3-Oxo-3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936136
N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 66271488
2-(2-Oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66278817

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione (CID 166036165) is 5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione is O=C1NCC(n2nc3n(c2=O)CCCC3)C(=O)N1.
What is the InChIKey of 5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione?
The InChIKey is WBBGPZVMKIHRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c16-8-6(5-11-9(17)12-8)15-10(18)14-4-2-1-3-7(14)13-15/h6H,1-5H2,(H2,11,12,16,17).
What are the key properties of 5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione?
5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione has a molecular weight of 251.25 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166036165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).