1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea

C19H19N5O — CID 113046668

IUPAC1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea
SMILESCCc1ccccc1Nc1ccc(NC(=O)Nc2ccccc2)nn1
InChIInChI=1S/C19H19N5O/c1-2-14-8-6-7-11-16(14)21-17-12-13-18(24-23-17)22-19(25)20-15-9-4-3-5-10-15/h3-13H,2H2,1H3,(H,21,23)(H2,20,22,24,25)
InChIKeyLWBOMPYGMHXSGE-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.43
Rot. Bonds5

About 1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea

1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea (PubChem CID 113046668) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea
PubChem CID113046668
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea
SMILESCCc1ccccc1Nc1ccc(NC(=O)Nc2ccccc2)nn1
InChIInChI=1S/C19H19N5O/c1-2-14-8-6-7-11-16(14)21-17-12-13-18(24-23-17)22-19(25)20-15-9-4-3-5-10-15/h3-13H,2H2,1H3,(H,21,23)(H2,20,22,24,25)
InChIKeyLWBOMPYGMHXSGE-UHFFFAOYSA-N
XLogP4.43
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
CID 113017398
N-[6-(2-ethylanilino)pyridazin-3-yl]pentanamide
CID 113046636
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113046657
1-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]-3-phenylurea
CID 113050162
N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127909
1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea
CID 113049173
N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113046674
N-[6-(2-ethylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113046649
1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
CID 113041714
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113046653
N-(2-ethoxyphenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127901
1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea
CID 113050107

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea?
The IUPAC name of 1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea (CID 113046668) is 1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea is CCc1ccccc1Nc1ccc(NC(=O)Nc2ccccc2)nn1.
What is the InChIKey of 1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea?
The InChIKey is LWBOMPYGMHXSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-14-8-6-7-11-16(14)21-17-12-13-18(24-23-17)22-19(25)20-15-9-4-3-5-10-15/h3-13H,2H2,1H3,(H,21,23)(H2,20,22,24,25).
What are the key properties of 1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea?
1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea has a molecular weight of 333.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea is sourced from PubChem (CID 113046668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).