1-tert-butyl-1-methyl-3-pyridazin-4-ylurea

C10H16N4O — CID 54041078

IUPAC1-tert-butyl-1-methyl-3-pyridazin-4-ylurea
SMILESCN(C(=O)Nc1ccnnc1)C(C)(C)C
InChIInChI=1S/C10H16N4O/c1-10(2,3)14(4)9(15)13-8-5-6-11-12-7-8/h5-7H,1-4H3,(H,11,13,15)
InChIKeyLMJPRRURWFXQAX-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.74
Rot. Bonds1

About 1-tert-butyl-1-methyl-3-pyridazin-4-ylurea

1-tert-butyl-1-methyl-3-pyridazin-4-ylurea (PubChem CID 54041078) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-tert-butyl-1-methyl-3-pyridazin-4-ylurea.

Molecular Properties

Compound Name1-tert-butyl-1-methyl-3-pyridazin-4-ylurea
PubChem CID54041078
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-tert-butyl-1-methyl-3-pyridazin-4-ylurea
SMILESCN(C(=O)Nc1ccnnc1)C(C)(C)C
InChIInChI=1S/C10H16N4O/c1-10(2,3)14(4)9(15)13-8-5-6-11-12-7-8/h5-7H,1-4H3,(H,11,13,15)
InChIKeyLMJPRRURWFXQAX-UHFFFAOYSA-N
XLogP1.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-methyl-3-pyridazin-4-ylurea?
The IUPAC name of 1-tert-butyl-1-methyl-3-pyridazin-4-ylurea (CID 54041078) is 1-tert-butyl-1-methyl-3-pyridazin-4-ylurea.
What is the SMILES notation for 1-tert-butyl-1-methyl-3-pyridazin-4-ylurea?
The canonical SMILES for 1-tert-butyl-1-methyl-3-pyridazin-4-ylurea is CN(C(=O)Nc1ccnnc1)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-1-methyl-3-pyridazin-4-ylurea?
The InChIKey is LMJPRRURWFXQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2,3)14(4)9(15)13-8-5-6-11-12-7-8/h5-7H,1-4H3,(H,11,13,15).
What are the key properties of 1-tert-butyl-1-methyl-3-pyridazin-4-ylurea?
1-tert-butyl-1-methyl-3-pyridazin-4-ylurea has a molecular weight of 208.26 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-methyl-3-pyridazin-4-ylurea is sourced from PubChem (CID 54041078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).