1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea

C8H12N4O2 — CID 108887201

IUPAC1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N4O2/c1-2-5-9-8(14)10-6-3-4-7(13)12-11-6/h3-4H,2,5H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyOGTABBRZSVOUQK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.30
Rot. Bonds3

About 1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea

1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea (PubChem CID 108887201) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea
PubChem CID108887201
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N4O2/c1-2-5-9-8(14)10-6-3-4-7(13)12-11-6/h3-4H,2,5H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyOGTABBRZSVOUQK-UHFFFAOYSA-N
XLogP0.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[(3-oxo-2,3-dihydropyridazin-6-yl)amino]propanamide
CID 155801723
6-(Butylamino)pyridazin-3(2H)-one
CID 13274966
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
1-Ethyl-1-(3-methylbutyl)-3-(1-methyl-6-oxopyridazin-3-yl)urea
CID 155020983
N-(2-Hydroxyethyl)-N'-(6-oxo-1,6-dihydropyridazin-3-yl)urea
CID 13157694
N-Ethyl-N'-(6-oxo-1,6-dihydropyridazin-3-yl)urea
CID 13157695
N-Ethyl-N-(6-oxo-1,6-dihydropyridazin-3-yl)acetamide
CID 13274970
N-(6-Oxo-1,6-dihydropyridazin-3-yl)-N-propylacetamide
CID 13274971

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea?
The IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea (CID 108887201) is 1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea is CCCNC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea?
The InChIKey is OGTABBRZSVOUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-5-9-8(14)10-6-3-4-7(13)12-11-6/h3-4H,2,5H2,1H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea?
1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea has a molecular weight of 196.21 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea is sourced from PubChem (CID 108887201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).