2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide

C8H12N4O2 — CID 131165630

IUPAC2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCCc1cc(=O)n(CC(=O)NN)cn1
InChIInChI=1S/C8H12N4O2/c1-2-6-3-8(14)12(5-10-6)4-7(13)11-9/h3,5H,2,4,9H2,1H3,(H,11,13)
InChIKeySRLBCSJIPSGNSA-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.20
Rot. Bonds3

About 2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide

2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide (PubChem CID 131165630) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide
PubChem CID131165630
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCCc1cc(=O)n(CC(=O)NN)cn1
InChIInChI=1S/C8H12N4O2/c1-2-6-3-8(14)12(5-10-6)4-7(13)11-9/h3,5H,2,4,9H2,1H3,(H,11,13)
InChIKeySRLBCSJIPSGNSA-UHFFFAOYSA-N
XLogP-1.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide?
The IUPAC name of 2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide (CID 131165630) is 2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide is CCc1cc(=O)n(CC(=O)NN)cn1.
What is the InChIKey of 2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide?
The InChIKey is SRLBCSJIPSGNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-6-3-8(14)12(5-10-6)4-7(13)11-9/h3,5H,2,4,9H2,1H3,(H,11,13).
What are the key properties of 2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide?
2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide has a molecular weight of 196.21 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6-oxopyrimidin-1-yl)acetohydrazide is sourced from PubChem (CID 131165630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).