5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione

C6H5N5O2 — CID 136610615

IUPAC5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione
SMILESC=C(N=[N+]=[N-])c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H5N5O2/c1-3(10-11-7)4-2-8-6(13)9-5(4)12/h2H,1H2,(H2,8,9,12,13)
InChIKeyIXTRTPKNRKDRLC-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.34
Rot. Bonds2

About 5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione

5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione (PubChem CID 136610615) has the molecular formula C6H5N5O2 and a molecular weight of 179.14 g/mol. Its IUPAC name is 5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione
PubChem CID136610615
Molecular FormulaC6H5N5O2
Molecular Weight179.14 g/mol
Exact Mass179.04
IUPAC Name5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione
SMILESC=C(N=[N+]=[N-])c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H5N5O2/c1-3(10-11-7)4-2-8-6(13)9-5(4)12/h2H,1H2,(H2,8,9,12,13)
InChIKeyIXTRTPKNRKDRLC-UHFFFAOYSA-N
XLogP0.34
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione (CID 136610615) is 5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione is C=C(N=[N+]=[N-])c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is IXTRTPKNRKDRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2/c1-3(10-11-7)4-2-8-6(13)9-5(4)12/h2H,1H2,(H2,8,9,12,13).
What are the key properties of 5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione?
5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 179.14 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 136610615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).