1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea

C17H23N5O3 — CID 113044200

IUPAC1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea
SMILESCOc1ccc(OCCNc2ccc(NC(=O)NC(C)C)nn2)cc1
InChIInChI=1S/C17H23N5O3/c1-12(2)19-17(23)20-16-9-8-15(21-22-16)18-10-11-25-14-6-4-13(24-3)5-7-14/h4-9,12H,10-11H2,1-3H3,(H,18,21)(H2,19,20,22,23)
InChIKeyNKTPEHFKSIWJSE-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.51
Rot. Bonds8

About 1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea

1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea (PubChem CID 113044200) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea
PubChem CID113044200
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea
SMILESCOc1ccc(OCCNc2ccc(NC(=O)NC(C)C)nn2)cc1
InChIInChI=1S/C17H23N5O3/c1-12(2)19-17(23)20-16-9-8-15(21-22-16)18-10-11-25-14-6-4-13(24-3)5-7-14/h4-9,12H,10-11H2,1-3H3,(H,18,21)(H2,19,20,22,23)
InChIKeyNKTPEHFKSIWJSE-UHFFFAOYSA-N
XLogP2.51
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113029923
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
CID 113044161
methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate
CID 113044195
1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048339
6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109151337
5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271228
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
CID 113039555
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048242

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea (CID 113044200) is 1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea is COc1ccc(OCCNc2ccc(NC(=O)NC(C)C)nn2)cc1.
What is the InChIKey of 1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea?
The InChIKey is NKTPEHFKSIWJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12(2)19-17(23)20-16-9-8-15(21-22-16)18-10-11-25-14-6-4-13(24-3)5-7-14/h4-9,12H,10-11H2,1-3H3,(H,18,21)(H2,19,20,22,23).
What are the key properties of 1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea?
1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea has a molecular weight of 345.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 113044200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).