4-(2-oxopyrimidin-1-yl)butanehydrazide

C8H12N4O2 — CID 63572413

IUPAC4-(2-oxopyrimidin-1-yl)butanehydrazide
SMILESNNC(=O)CCCn1cccnc1=O
InChIInChI=1S/C8H12N4O2/c9-11-7(13)3-1-5-12-6-2-4-10-8(12)14/h2,4,6H,1,3,5,9H2,(H,11,13)
InChIKeyMOEAIWAJLCYOFT-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.99
Rot. Bonds4

About 4-(2-oxopyrimidin-1-yl)butanehydrazide

4-(2-oxopyrimidin-1-yl)butanehydrazide (PubChem CID 63572413) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(2-oxopyrimidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(2-oxopyrimidin-1-yl)butanehydrazide
PubChem CID63572413
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-(2-oxopyrimidin-1-yl)butanehydrazide
SMILESNNC(=O)CCCn1cccnc1=O
InChIInChI=1S/C8H12N4O2/c9-11-7(13)3-1-5-12-6-2-4-10-8(12)14/h2,4,6H,1,3,5,9H2,(H,11,13)
InChIKeyMOEAIWAJLCYOFT-UHFFFAOYSA-N
XLogP-0.99
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.99
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 4-(2-oxopyrimidin-1-yl)butanehydrazide?
The IUPAC name of 4-(2-oxopyrimidin-1-yl)butanehydrazide (CID 63572413) is 4-(2-oxopyrimidin-1-yl)butanehydrazide.
What is the SMILES notation for 4-(2-oxopyrimidin-1-yl)butanehydrazide?
The canonical SMILES for 4-(2-oxopyrimidin-1-yl)butanehydrazide is NNC(=O)CCCn1cccnc1=O.
What is the InChIKey of 4-(2-oxopyrimidin-1-yl)butanehydrazide?
The InChIKey is MOEAIWAJLCYOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-11-7(13)3-1-5-12-6-2-4-10-8(12)14/h2,4,6H,1,3,5,9H2,(H,11,13).
What are the key properties of 4-(2-oxopyrimidin-1-yl)butanehydrazide?
4-(2-oxopyrimidin-1-yl)butanehydrazide has a molecular weight of 196.21 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrimidin-1-yl)butanehydrazide is sourced from PubChem (CID 63572413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).