[4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea

C11H14N4O2 — CID 156887174

IUPAC[4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea
SMILESCOC(C)c1c(NC(N)=O)cnn2cccc12
InChIInChI=1S/C11H14N4O2/c1-7(17-2)10-8(14-11(12)16)6-13-15-5-3-4-9(10)15/h3-7H,1-2H3,(H3,12,14,16)
InChIKeyYPHSPBYAPNUZEY-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.53
Rot. Bonds3

About [4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea

[4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea (PubChem CID 156887174) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea.

Molecular Properties

Compound Name[4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea
PubChem CID156887174
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea
SMILESCOC(C)c1c(NC(N)=O)cnn2cccc12
InChIInChI=1S/C11H14N4O2/c1-7(17-2)10-8(14-11(12)16)6-13-15-5-3-4-9(10)15/h3-7H,1-2H3,(H3,12,14,16)
InChIKeyYPHSPBYAPNUZEY-UHFFFAOYSA-N
XLogP1.53
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid
CID 156887143
methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate
CID 126841562
2-fluoro-4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid
CID 156887102
N-(1,1-dimethoxypropan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118082
ethyl 4-[(1S)-1-hydroxyethyl]pyrrolo[1,2-b]pyridazine-3-carboxylate
CID 156887109
N-[2-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120132
1-[6-chloro-4-[(1S)-1-methoxyethyl]pyrrolo[1,2-b]pyridazin-3-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 156887027
N-(5-amino-2-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115920
[2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea
CID 166791947
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120226
N-[2-(1-methoxyethyl)phenyl]acetamide
CID 56609404
4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 59811854

Frequently Asked Questions

What is the IUPAC name of [4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea?
The IUPAC name of [4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea (CID 156887174) is [4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea.
What is the SMILES notation for [4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea?
The canonical SMILES for [4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea is COC(C)c1c(NC(N)=O)cnn2cccc12.
What is the InChIKey of [4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea?
The InChIKey is YPHSPBYAPNUZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7(17-2)10-8(14-11(12)16)6-13-15-5-3-4-9(10)15/h3-7H,1-2H3,(H3,12,14,16).
What are the key properties of [4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea?
[4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea has a molecular weight of 234.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazin-3-yl]urea is sourced from PubChem (CID 156887174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).