1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

C9H14N4O2 — CID 108887235

IUPAC1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCC(C)CNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-6(2)5-10-9(15)11-7-3-4-8(14)13-12-7/h3-4,6H,5H2,1-2H3,(H,13,14)(H2,10,11,12,15)
InChIKeyNYWIVVMSVGSNHX-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.55
Rot. Bonds3

About 1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887235) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887235
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCC(C)CNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-6(2)5-10-9(15)11-7-3-4-8(14)13-12-7/h3-4,6H,5H2,1-2H3,(H,13,14)(H2,10,11,12,15)
InChIKeyNYWIVVMSVGSNHX-UHFFFAOYSA-N
XLogP0.55
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Isobutylamino)pyridazin-3-ol
CID 121205006
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-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
1-(2-methoxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887236
1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887237
1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887238

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887235) is 1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is CC(C)CNC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is NYWIVVMSVGSNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(2)5-10-9(15)11-7-3-4-8(14)13-12-7/h3-4,6H,5H2,1-2H3,(H,13,14)(H2,10,11,12,15).
What are the key properties of 1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 210.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).