N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide

C10H14N4O4 — CID 164541132

IUPACN-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide
SMILESCC(=O)Nc1cnn(C2CCC(CO)O2)c(=O)n1
InChIInChI=1S/C10H14N4O4/c1-6(16)12-8-4-11-14(10(17)13-8)9-3-2-7(5-15)18-9/h4,7,9,15H,2-3,5H2,1H3,(H,12,13,16,17)
InChIKeyNPCUFKCHTPFVTR-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.73
Rot. Bonds3

About N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide

N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide (PubChem CID 164541132) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide
PubChem CID164541132
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide
SMILESCC(=O)Nc1cnn(C2CCC(CO)O2)c(=O)n1
InChIInChI=1S/C10H14N4O4/c1-6(16)12-8-4-11-14(10(17)13-8)9-3-2-7(5-15)18-9/h4,7,9,15H,2-3,5H2,1H3,(H,12,13,16,17)
InChIKeyNPCUFKCHTPFVTR-UHFFFAOYSA-N
XLogP-0.73
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 169252416
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
benzyl N-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 10665195
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 70367080
2-amino-8-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 14861990
4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 169201542
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
[(2R,3S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 688454
9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 10130943
N'-[1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 19821113

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide?
The IUPAC name of N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide (CID 164541132) is N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide.
What is the SMILES notation for N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide?
The canonical SMILES for N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide is CC(=O)Nc1cnn(C2CCC(CO)O2)c(=O)n1.
What is the InChIKey of N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide?
The InChIKey is NPCUFKCHTPFVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-6(16)12-8-4-11-14(10(17)13-8)9-3-2-7(5-15)18-9/h4,7,9,15H,2-3,5H2,1H3,(H,12,13,16,17).
What are the key properties of N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide?
N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide has a molecular weight of 254.25 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]acetamide is sourced from PubChem (CID 164541132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).