1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea

C13H22N4O2 — CID 155020983

IUPAC1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea
SMILESCCN(CCC(C)C)C(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C13H22N4O2/c1-5-17(9-8-10(2)3)13(19)14-11-6-7-12(18)16(4)15-11/h6-7,10H,5,8-9H2,1-4H3,(H,14,15,19)
InChIKeyMSSXAASGXQZRMH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.68
Rot. Bonds5

About 1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea

1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea (PubChem CID 155020983) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea
PubChem CID155020983
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea
SMILESCCN(CCC(C)C)C(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C13H22N4O2/c1-5-17(9-8-10(2)3)13(19)14-11-6-7-12(18)16(4)15-11/h6-7,10H,5,8-9H2,1-4H3,(H,14,15,19)
InChIKeyMSSXAASGXQZRMH-UHFFFAOYSA-N
XLogP1.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyano-3-[4-[3-(dimethylamino)-6-oxopyridazin-1-yl]butyl]-2-methylguanidine
CID 12850780
N-(1-methyl-6-oxopyridazin-3-yl)pyrrolidine-1-carboxamide
CID 154662241
1-(1-Methyl-6-oxopyridazin-3-yl)-3-propylurea
CID 154662384
1-Methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea
CID 154662458
1-Methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea;molecular hydrogen
CID 154662480
1-Ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea
CID 155020887
N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 155021012
2-(4-Aminobutyl)-6-(dimethylamino)pyridazin-3-one
CID 13103556
1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea
CID 108887201
4-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887232
1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887235
1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887237

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea?
The IUPAC name of 1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea (CID 155020983) is 1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea.
What is the SMILES notation for 1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea?
The canonical SMILES for 1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea is CCN(CCC(C)C)C(=O)Nc1ccc(=O)n(C)n1.
What is the InChIKey of 1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea?
The InChIKey is MSSXAASGXQZRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-17(9-8-10(2)3)13(19)14-11-6-7-12(18)16(4)15-11/h6-7,10H,5,8-9H2,1-4H3,(H,14,15,19).
What are the key properties of 1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea?
1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea has a molecular weight of 266.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea is sourced from PubChem (CID 155020983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).