3-hydrazinyl-1H-pyrimidine-2,4-dione

C4H6N4O2 — CID 67307774

IUPAC3-hydrazinyl-1H-pyrimidine-2,4-dione
SMILESNNn1c(=O)cc[nH]c1=O
InChIInChI=1S/C4H6N4O2/c5-7-8-3(9)1-2-6-4(8)10/h1-2,7H,5H2,(H,6,10)
InChIKeyCBCRWNMAZDRHDH-UHFFFAOYSA-N
MW142.12 g/mol
LogP-2.05
Rot. Bonds1

About 3-hydrazinyl-1H-pyrimidine-2,4-dione

3-hydrazinyl-1H-pyrimidine-2,4-dione (PubChem CID 67307774) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 3-hydrazinyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-hydrazinyl-1H-pyrimidine-2,4-dione
PubChem CID67307774
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name3-hydrazinyl-1H-pyrimidine-2,4-dione
SMILESNNn1c(=O)cc[nH]c1=O
InChIInChI=1S/C4H6N4O2/c5-7-8-3(9)1-2-6-4(8)10/h1-2,7H,5H2,(H,6,10)
InChIKeyCBCRWNMAZDRHDH-UHFFFAOYSA-N
XLogP-2.05
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 3-hydrazinyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-hydrazinyl-1H-pyrimidine-2,4-dione (CID 67307774) is 3-hydrazinyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-hydrazinyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-hydrazinyl-1H-pyrimidine-2,4-dione is NNn1c(=O)cc[nH]c1=O.
What is the InChIKey of 3-hydrazinyl-1H-pyrimidine-2,4-dione?
The InChIKey is CBCRWNMAZDRHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-7-8-3(9)1-2-6-4(8)10/h1-2,7H,5H2,(H,6,10).
What are the key properties of 3-hydrazinyl-1H-pyrimidine-2,4-dione?
3-hydrazinyl-1H-pyrimidine-2,4-dione has a molecular weight of 142.12 g/mol, XLogP of -2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67307774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).