5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one

C7H7N5O2 — CID 169461444

IUPAC5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
SMILES[N-]=[N+]=NCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C7H7N5O2/c8-12-11-3-1-2-5-6(13)9-4-10-7(5)14/h1-2,4H,3H2,(H2,9,10,13,14)
InChIKeyNZESZGVTSSDDNK-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.80
Rot. Bonds3

About 5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one

5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 169461444) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID169461444
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
SMILES[N-]=[N+]=NCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C7H7N5O2/c8-12-11-3-1-2-5-6(13)9-4-10-7(5)14/h1-2,4H,3H2,(H2,9,10,13,14)
InChIKeyNZESZGVTSSDDNK-UHFFFAOYSA-N
XLogP0.80
TPSA114.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one (CID 169461444) is 5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one is [N-]=[N+]=NCC=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is NZESZGVTSSDDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-12-11-3-1-2-5-6(13)9-4-10-7(5)14/h1-2,4H,3H2,(H2,9,10,13,14).
What are the key properties of 5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 193.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 169461444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).