1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea

C10H16N4O2 — CID 154662458

IUPAC1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea
SMILESCCCN(C)C(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C10H16N4O2/c1-4-7-13(2)10(16)11-8-5-6-9(15)14(3)12-8/h5-6H,4,7H2,1-3H3,(H,11,12,16)
InChIKeyCSWSAMNODJSCRL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.65
Rot. Bonds3

About 1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea

1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea (PubChem CID 154662458) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea.

Molecular Properties

Compound Name1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea
PubChem CID154662458
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea
SMILESCCCN(C)C(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C10H16N4O2/c1-4-7-13(2)10(16)11-8-5-6-9(15)14(3)12-8/h5-6H,4,7H2,1-3H3,(H,11,12,16)
InChIKeyCSWSAMNODJSCRL-UHFFFAOYSA-N
XLogP0.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.65
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
2-Cyano-1-[3-[3-(dimethylamino)-6-oxopyridazin-1-yl]propyl]-1-methylguanidine
CID 88743625
N-(1-methyl-6-oxopyridazin-3-yl)pyrrolidine-1-carboxamide
CID 154662241
1-(1-Methyl-6-oxopyridazin-3-yl)-3-propylurea
CID 154662384
4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662473
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
1-Ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea
CID 155020983
N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 155021012
2-(4-Aminobutyl)-6-(dimethylamino)pyridazin-3-one
CID 13103556
N-Ethyl-N'-(6-oxo-1,6-dihydropyridazin-3-yl)urea
CID 13157695
N-(6-Oxo-1,6-dihydropyridazin-3-yl)-N-propylacetamide
CID 13274971

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea?
The IUPAC name of 1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea (CID 154662458) is 1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea.
What is the SMILES notation for 1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea?
The canonical SMILES for 1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea is CCCN(C)C(=O)Nc1ccc(=O)n(C)n1.
What is the InChIKey of 1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea?
The InChIKey is CSWSAMNODJSCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-7-13(2)10(16)11-8-5-6-9(15)14(3)12-8/h5-6H,4,7H2,1-3H3,(H,11,12,16).
What are the key properties of 1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea?
1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea has a molecular weight of 224.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea is sourced from PubChem (CID 154662458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).