1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea

C12H18N4O — CID 146127944

IUPAC1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea
SMILESC=C(C)CN(CC)C(=O)Nc1ccnnc1C
InChIInChI=1S/C12H18N4O/c1-5-16(8-9(2)3)12(17)14-11-6-7-13-15-10(11)4/h6-7H,2,5,8H2,1,3-4H3,(H,13,14,17)
InChIKeyPSGWBJAMDYWDSH-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.21
Rot. Bonds4

About 1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea

1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea (PubChem CID 146127944) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea
PubChem CID146127944
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea
SMILESC=C(C)CN(CC)C(=O)Nc1ccnnc1C
InChIInChI=1S/C12H18N4O/c1-5-16(8-9(2)3)12(17)14-11-6-7-13-15-10(11)4/h6-7H,2,5,8H2,1,3-4H3,(H,13,14,17)
InChIKeyPSGWBJAMDYWDSH-UHFFFAOYSA-N
XLogP2.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea?
The IUPAC name of 1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea (CID 146127944) is 1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea.
What is the SMILES notation for 1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea?
The canonical SMILES for 1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea is C=C(C)CN(CC)C(=O)Nc1ccnnc1C.
What is the InChIKey of 1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea?
The InChIKey is PSGWBJAMDYWDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-5-16(8-9(2)3)12(17)14-11-6-7-13-15-10(11)4/h6-7H,2,5,8H2,1,3-4H3,(H,13,14,17).
What are the key properties of 1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea?
1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea has a molecular weight of 234.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea is sourced from PubChem (CID 146127944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).