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

C9H14N4O2 — CID 154662384

IUPAC1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C9H14N4O2/c1-3-6-10-9(15)11-7-4-5-8(14)13(2)12-7/h4-5H,3,6H2,1-2H3,(H2,10,11,12,15)
InChIKeyYKAQTQRVYPDPIY-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.31
Rot. Bonds3

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

1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea (PubChem CID 154662384) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea
PubChem CID154662384
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C9H14N4O2/c1-3-6-10-9(15)11-7-4-5-8(14)13(2)12-7/h4-5H,3,6H2,1-2H3,(H2,10,11,12,15)
InChIKeyYKAQTQRVYPDPIY-UHFFFAOYSA-N
XLogP0.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.31
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-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
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
1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea
CID 108887201
1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea
CID 108887226

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea (CID 154662384) is 1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea is CCCNC(=O)Nc1ccc(=O)n(C)n1.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea?
The InChIKey is YKAQTQRVYPDPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-6-10-9(15)11-7-4-5-8(14)13(2)12-7/h4-5H,3,6H2,1-2H3,(H2,10,11,12,15).
What are the key properties of 1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea?
1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea has a molecular weight of 210.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-3-yl)-3-propylurea is sourced from PubChem (CID 154662384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).