1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea

C17H21N5O2 — CID 113042810

IUPAC1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
SMILESCOc1ccc(CCNc2ccc(NC(=O)NC3CC3)nn2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-14-6-2-12(3-7-14)10-11-18-15-8-9-16(22-21-15)20-17(23)19-13-4-5-13/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyIUTVUZNVPVDXCD-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.42
Rot. Bonds7

About 1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea

1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea (PubChem CID 113042810) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
PubChem CID113042810
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
SMILESCOc1ccc(CCNc2ccc(NC(=O)NC3CC3)nn2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-14-6-2-12(3-7-14)10-11-18-15-8-9-16(22-21-15)20-17(23)19-13-4-5-13/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyIUTVUZNVPVDXCD-UHFFFAOYSA-N
XLogP2.42
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea
CID 113039466
1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea
CID 113043387
1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea
CID 113045279
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042788
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109173025
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43086123
[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113349
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea (CID 113042810) is 1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea is COc1ccc(CCNc2ccc(NC(=O)NC3CC3)nn2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea?
The InChIKey is IUTVUZNVPVDXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-14-6-2-12(3-7-14)10-11-18-15-8-9-16(22-21-15)20-17(23)19-13-4-5-13/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,18,21)(H2,19,20,22,23).
What are the key properties of 1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea?
1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea has a molecular weight of 327.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea is sourced from PubChem (CID 113042810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).