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

C8H12N4O2 — CID 155020887

IUPAC1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea
SMILESCCNC(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C8H12N4O2/c1-3-9-8(14)10-6-4-5-7(13)12(2)11-6/h4-5H,3H2,1-2H3,(H2,9,10,11,14)
InChIKeyIOSODVAQMGUYQP-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.08
Rot. Bonds2

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

1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea (PubChem CID 155020887) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea
PubChem CID155020887
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea
SMILESCCNC(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C8H12N4O2/c1-3-9-8(14)10-6-4-5-7(13)12(2)11-6/h4-5H,3H2,1-2H3,(H2,9,10,11,14)
InChIKeyIOSODVAQMGUYQP-UHFFFAOYSA-N
XLogP-0.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
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
2-Methyl-6-(methylamino)pyridazin-3-one
CID 21751358
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-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea
CID 155020983
2-(3-Amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
CID 168824389
6-Amino-2-[2-(methylamino)ethyl]pyridazin-3-one
CID 169960725
N-Ethyl-N'-(6-oxo-1,6-dihydropyridazin-3-yl)urea
CID 13157695
N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 108887200
1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea
CID 108887201

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea?
The IUPAC name of 1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea (CID 155020887) is 1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea.
What is the SMILES notation for 1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea?
The canonical SMILES for 1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea is CCNC(=O)Nc1ccc(=O)n(C)n1.
What is the InChIKey of 1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea?
The InChIKey is IOSODVAQMGUYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-3-9-8(14)10-6-4-5-7(13)12(2)11-6/h4-5H,3H2,1-2H3,(H2,9,10,11,14).
What are the key properties of 1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea?
1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea has a molecular weight of 196.21 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea is sourced from PubChem (CID 155020887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).