5-formylpyrimidine-2-carbohydrazide

C6H6N4O2 — CID 173117486

IUPAC5-formylpyrimidine-2-carbohydrazide
SMILESNNC(=O)c1ncc(C=O)cn1
InChIInChI=1S/C6H6N4O2/c7-10-6(12)5-8-1-4(3-11)2-9-5/h1-3H,7H2,(H,10,12)
InChIKeyZWTSHVJSGKGXPU-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.11
Rot. Bonds2

About 5-formylpyrimidine-2-carbohydrazide

5-formylpyrimidine-2-carbohydrazide (PubChem CID 173117486) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-formylpyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name5-formylpyrimidine-2-carbohydrazide
PubChem CID173117486
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name5-formylpyrimidine-2-carbohydrazide
SMILESNNC(=O)c1ncc(C=O)cn1
InChIInChI=1S/C6H6N4O2/c7-10-6(12)5-8-1-4(3-11)2-9-5/h1-3H,7H2,(H,10,12)
InChIKeyZWTSHVJSGKGXPU-UHFFFAOYSA-N
XLogP-1.11
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 5-formylpyrimidine-2-carbohydrazide?
The IUPAC name of 5-formylpyrimidine-2-carbohydrazide (CID 173117486) is 5-formylpyrimidine-2-carbohydrazide.
What is the SMILES notation for 5-formylpyrimidine-2-carbohydrazide?
The canonical SMILES for 5-formylpyrimidine-2-carbohydrazide is NNC(=O)c1ncc(C=O)cn1.
What is the InChIKey of 5-formylpyrimidine-2-carbohydrazide?
The InChIKey is ZWTSHVJSGKGXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c7-10-6(12)5-8-1-4(3-11)2-9-5/h1-3H,7H2,(H,10,12).
What are the key properties of 5-formylpyrimidine-2-carbohydrazide?
5-formylpyrimidine-2-carbohydrazide has a molecular weight of 166.14 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formylpyrimidine-2-carbohydrazide is sourced from PubChem (CID 173117486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).