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

C15H19N5O2 — CID 113048339

IUPAC1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
SMILESCOc1ccc(Nc2ccc(NC(=O)NC(C)C)nn2)cc1
InChIInChI=1S/C15H19N5O2/c1-10(2)16-15(21)18-14-9-8-13(19-20-14)17-11-4-6-12(22-3)7-5-11/h4-10H,1-3H3,(H,17,19)(H2,16,18,20,21)
InChIKeyDEDPYSUBBDRWRS-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.76
Rot. Bonds5

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

1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea (PubChem CID 113048339) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
PubChem CID113048339
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
SMILESCOc1ccc(Nc2ccc(NC(=O)NC(C)C)nn2)cc1
InChIInChI=1S/C15H19N5O2/c1-10(2)16-15(21)18-14-9-8-13(19-20-14)17-11-4-6-12(22-3)7-5-11/h4-10H,1-3H3,(H,17,19)(H2,16,18,20,21)
InChIKeyDEDPYSUBBDRWRS-UHFFFAOYSA-N
XLogP2.76
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048242
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea
CID 113044200
2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
CID 113048284
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide
CID 113046976
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
1-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113029923

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea (CID 113048339) is 1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea is COc1ccc(Nc2ccc(NC(=O)NC(C)C)nn2)cc1.
What is the InChIKey of 1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea?
The InChIKey is DEDPYSUBBDRWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10(2)16-15(21)18-14-9-8-13(19-20-14)17-11-4-6-12(22-3)7-5-11/h4-10H,1-3H3,(H,17,19)(H2,16,18,20,21).
What are the key properties of 1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea?
1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea has a molecular weight of 301.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 113048339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).