5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione

C5H6N4O2 — CID 136935042

IUPAC5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione
SMILESN/N=C/c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N4O2/c6-8-2-3-1-7-5(11)9-4(3)10/h1-2H,6H2,(H2,7,9,10,11)/b8-2+
InChIKeyLUJGASZYPCMRIB-KRXBUXKQSA-N
MW154.13 g/mol
LogP-1.64
Rot. Bonds1

About 5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione

5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione (PubChem CID 136935042) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione
PubChem CID136935042
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione
SMILESN/N=C/c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N4O2/c6-8-2-3-1-7-5(11)9-4(3)10/h1-2H,6H2,(H2,7,9,10,11)/b8-2+
InChIKeyLUJGASZYPCMRIB-KRXBUXKQSA-N
XLogP-1.64
TPSA104.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione (CID 136935042) is 5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione is N/N=C/c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LUJGASZYPCMRIB-KRXBUXKQSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-8-2-3-1-7-5(11)9-4(3)10/h1-2H,6H2,(H2,7,9,10,11)/b8-2+.
What are the key properties of 5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione?
5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 154.13 g/mol, XLogP of -1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-hydrazinylidenemethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 136935042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).