2-hydrazinylpyrimidine-5-carbohydrazide

C5H8N6O — CID 12627756

IUPAC2-hydrazinylpyrimidine-5-carbohydrazide
SMILESNNC(=O)c1cnc(NN)nc1
InChIInChI=1S/C5H8N6O/c6-10-4(12)3-1-8-5(11-7)9-2-3/h1-2H,6-7H2,(H,10,12)(H,8,9,11)
InChIKeyJNYOEANNGJUISB-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.63
Rot. Bonds2

About 2-hydrazinylpyrimidine-5-carbohydrazide

2-hydrazinylpyrimidine-5-carbohydrazide (PubChem CID 12627756) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-hydrazinylpyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-hydrazinylpyrimidine-5-carbohydrazide
PubChem CID12627756
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-hydrazinylpyrimidine-5-carbohydrazide
SMILESNNC(=O)c1cnc(NN)nc1
InChIInChI=1S/C5H8N6O/c6-10-4(12)3-1-8-5(11-7)9-2-3/h1-2H,6-7H2,(H,10,12)(H,8,9,11)
InChIKeyJNYOEANNGJUISB-UHFFFAOYSA-N
XLogP-1.63
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-hydrazinylpyrimidine-5-carbohydrazide?
The IUPAC name of 2-hydrazinylpyrimidine-5-carbohydrazide (CID 12627756) is 2-hydrazinylpyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-hydrazinylpyrimidine-5-carbohydrazide?
The canonical SMILES for 2-hydrazinylpyrimidine-5-carbohydrazide is NNC(=O)c1cnc(NN)nc1.
What is the InChIKey of 2-hydrazinylpyrimidine-5-carbohydrazide?
The InChIKey is JNYOEANNGJUISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O/c6-10-4(12)3-1-8-5(11-7)9-2-3/h1-2H,6-7H2,(H,10,12)(H,8,9,11).
What are the key properties of 2-hydrazinylpyrimidine-5-carbohydrazide?
2-hydrazinylpyrimidine-5-carbohydrazide has a molecular weight of 168.16 g/mol, XLogP of -1.63, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylpyrimidine-5-carbohydrazide is sourced from PubChem (CID 12627756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).