pyridazin-3-ylurea

C5H6N4O — CID 13080987

IUPACpyridazin-3-ylurea
SMILESNC(=O)Nc1cccnn1
InChIInChI=1S/C5H6N4O/c6-5(10)8-4-2-1-3-7-9-4/h1-3H,(H3,6,8,9,10)
InChIKeyURJBKUCCCXVRAM-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.03
Rot. Bonds1

About pyridazin-3-ylurea

pyridazin-3-ylurea (PubChem CID 13080987) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is pyridazin-3-ylurea.

Molecular Properties

Compound Namepyridazin-3-ylurea
PubChem CID13080987
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Namepyridazin-3-ylurea
SMILESNC(=O)Nc1cccnn1
InChIInChI=1S/C5H6N4O/c6-5(10)8-4-2-1-3-7-9-4/h1-3H,(H3,6,8,9,10)
InChIKeyURJBKUCCCXVRAM-UHFFFAOYSA-N
XLogP-0.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridazin-3-ylurea?
The IUPAC name of pyridazin-3-ylurea (CID 13080987) is pyridazin-3-ylurea.
What is the SMILES notation for pyridazin-3-ylurea?
The canonical SMILES for pyridazin-3-ylurea is NC(=O)Nc1cccnn1.
What is the InChIKey of pyridazin-3-ylurea?
The InChIKey is URJBKUCCCXVRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-5(10)8-4-2-1-3-7-9-4/h1-3H,(H3,6,8,9,10).
What are the key properties of pyridazin-3-ylurea?
pyridazin-3-ylurea has a molecular weight of 138.13 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-3-ylurea is sourced from PubChem (CID 13080987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).