1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one

C10H13N5O4 — CID 140535435

IUPAC1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one
SMILES[N-]=[N+]=N[C@@H]1C[C@@H](n2ccc(NO)cc2=O)O[C@H]1CO
InChIInChI=1S/C10H13N5O4/c11-14-12-7-4-10(19-8(7)5-16)15-2-1-6(13-18)3-9(15)17/h1-3,7-8,10,13,16,18H,4-5H2/t7-,8+,10+/m1/s1
InChIKeyPFUIZYKXFJMANY-WEDXCCLWSA-N
MW267.25 g/mol
LogP0.61
Rot. Bonds4

About 1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one

1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one (PubChem CID 140535435) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one
PubChem CID140535435
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one
SMILES[N-]=[N+]=N[C@@H]1C[C@@H](n2ccc(NO)cc2=O)O[C@H]1CO
InChIInChI=1S/C10H13N5O4/c11-14-12-7-4-10(19-8(7)5-16)15-2-1-6(13-18)3-9(15)17/h1-3,7-8,10,13,16,18H,4-5H2/t7-,8+,10+/m1/s1
InChIKeyPFUIZYKXFJMANY-WEDXCCLWSA-N
XLogP0.61
TPSA132.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanylpyrimidin-4-one
CID 10517080
4-amino-1-[(2S,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 26433555
[(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol
CID 54503487
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 14351976
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(di(18F)fluoromethyl)pyrimidine-2,4-dione
CID 11998506
4-amino-1-[(2R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidin-2-one
CID 57287538
5-azido-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10424498
1-[(2R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-prop-2-enylpyrimidine-2,4-dione
CID 21145830
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-nitropyrimidine-2,4-dione
CID 86573293
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-6-propylpyrimidine-2,4-dione
CID 15217052
1-[(2R,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidine-2,4-dione
CID 46780519

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one?
The IUPAC name of 1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one (CID 140535435) is 1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one.
What is the SMILES notation for 1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one?
The canonical SMILES for 1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one is [N-]=[N+]=N[C@@H]1C[C@@H](n2ccc(NO)cc2=O)O[C@H]1CO.
What is the InChIKey of 1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one?
The InChIKey is PFUIZYKXFJMANY-WEDXCCLWSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-14-12-7-4-10(19-8(7)5-16)15-2-1-6(13-18)3-9(15)17/h1-3,7-8,10,13,16,18H,4-5H2/t7-,8+,10+/m1/s1.
What are the key properties of 1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one?
1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one has a molecular weight of 267.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one is sourced from PubChem (CID 140535435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).