[2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea

C10H9ClF3N5O — CID 166791947

IUPAC[2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea
SMILESCC(c1c(NC(N)=O)cnn2cc(Cl)nc12)C(F)(F)F
InChIInChI=1S/C10H9ClF3N5O/c1-4(10(12,13)14)7-5(17-9(15)20)2-16-19-3-6(11)18-8(7)19/h2-4H,1H3,(H3,15,17,20)
InChIKeyZJIKJHORTIDYBD-UHFFFAOYSA-N
MW307.66 g/mol
LogP2.54
Rot. Bonds2

About [2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea

[2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea (PubChem CID 166791947) has the molecular formula C10H9ClF3N5O and a molecular weight of 307.66 g/mol. Its IUPAC name is [2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea.

Molecular Properties

Compound Name[2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea
PubChem CID166791947
Molecular FormulaC10H9ClF3N5O
Molecular Weight307.66 g/mol
Exact Mass307.04
IUPAC Name[2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea
SMILESCC(c1c(NC(N)=O)cnn2cc(Cl)nc12)C(F)(F)F
InChIInChI=1S/C10H9ClF3N5O/c1-4(10(12,13)14)7-5(17-9(15)20)2-16-19-3-6(11)18-8(7)19/h2-4H,1H3,(H3,15,17,20)
InChIKeyZJIKJHORTIDYBD-UHFFFAOYSA-N
XLogP2.54
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-butan-2-yl-2-chloroimidazo[1,2-b]pyridazin-7-yl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 156772613
1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772508
1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155456557
2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid
CID 175449316
[4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea
CID 156887174
1-butyl-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpyrrolidine-3-carboxamide
CID 175449297
1-[8-[(1R)-1-methoxyethyl]-2-methylimidazo[1,2-b]pyridazin-7-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772553
2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide
CID 4170097
1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea
CID 156772689
1-(2-chloro-8-ethoxyimidazo[1,2-b]pyridazin-7-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155456680
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
[5-(trifluoromethyl)pyridazin-4-yl]urea
CID 144749752

Frequently Asked Questions

What is the IUPAC name of [2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea?
The IUPAC name of [2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea (CID 166791947) is [2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea.
What is the SMILES notation for [2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea?
The canonical SMILES for [2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea is CC(c1c(NC(N)=O)cnn2cc(Cl)nc12)C(F)(F)F.
What is the InChIKey of [2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea?
The InChIKey is ZJIKJHORTIDYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N5O/c1-4(10(12,13)14)7-5(17-9(15)20)2-16-19-3-6(11)18-8(7)19/h2-4H,1H3,(H3,15,17,20).
What are the key properties of [2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea?
[2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea has a molecular weight of 307.66 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea is sourced from PubChem (CID 166791947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).