1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea

C15H16N6O2 — CID 58243168

IUPAC1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1cn2nc(Nc3cccc(CO)c3)ccc2n1
InChIInChI=1S/C15H16N6O2/c1-16-15(23)19-13-8-21-14(18-13)6-5-12(20-21)17-11-4-2-3-10(7-11)9-22/h2-8,22H,9H2,1H3,(H,17,20)(H2,16,19,23)
InChIKeyHDENLZJNQSLSHS-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.72
Rot. Bonds4

About 1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea

1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea (PubChem CID 58243168) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
PubChem CID58243168
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1cn2nc(Nc3cccc(CO)c3)ccc2n1
InChIInChI=1S/C15H16N6O2/c1-16-15(23)19-13-8-21-14(18-13)6-5-12(20-21)17-11-4-2-3-10(7-11)9-22/h2-8,22H,9H2,1H3,(H,17,20)(H2,16,19,23)
InChIKeyHDENLZJNQSLSHS-UHFFFAOYSA-N
XLogP1.72
TPSA103.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide
CID 58243304
1-[6-[3-(2,3-dihydro-1,3-oxazol-5-yl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243105
1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243292
3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid
CID 58243204
1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243302
1-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243153
1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea
CID 58243097
1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243191
N-[3-(hydroxymethyl)phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 60630109
1-[3-(chloromethyl)phenyl]-3-methylurea
CID 141126220
[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride
CID 54604691
(6-propylimidazo[1,2-b]pyridazin-2-yl)carbamic acid
CID 68605000

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The IUPAC name of 1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea (CID 58243168) is 1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea.
What is the SMILES notation for 1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The canonical SMILES for 1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea is CNC(=O)Nc1cn2nc(Nc3cccc(CO)c3)ccc2n1.
What is the InChIKey of 1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The InChIKey is HDENLZJNQSLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-16-15(23)19-13-8-21-14(18-13)6-5-12(20-21)17-11-4-2-3-10(7-11)9-22/h2-8,22H,9H2,1H3,(H,17,20)(H2,16,19,23).
What are the key properties of 1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea has a molecular weight of 312.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea is sourced from PubChem (CID 58243168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).