1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea

C16H20N6O — CID 113049629

IUPAC1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)NC3CC3)nn2)cc1
InChIInChI=1S/C16H20N6O/c1-22(2)13-7-5-11(6-8-13)17-14-9-10-15(21-20-14)19-16(23)18-12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,17,20)(H2,18,19,21,23)
InChIKeyQEDQAIYXGMFDBV-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.57
Rot. Bonds5

About 1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea

1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea (PubChem CID 113049629) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
PubChem CID113049629
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)NC3CC3)nn2)cc1
InChIInChI=1S/C16H20N6O/c1-22(2)13-7-5-11(6-8-13)17-14-9-10-15(21-20-14)19-16(23)18-12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,17,20)(H2,18,19,21,23)
InChIKeyQEDQAIYXGMFDBV-UHFFFAOYSA-N
XLogP2.57
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
1-[6-(4-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113048047
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113049573
1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea
CID 113049683
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109112406
1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
CID 113049902
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113050196
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
CID 113049582
1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113050115
tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate
CID 113049625

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea (CID 113049629) is 1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea is CN(C)c1ccc(Nc2ccc(NC(=O)NC3CC3)nn2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea?
The InChIKey is QEDQAIYXGMFDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-22(2)13-7-5-11(6-8-13)17-14-9-10-15(21-20-14)19-16(23)18-12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,17,20)(H2,18,19,21,23).
What are the key properties of 1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea?
1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea has a molecular weight of 312.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea is sourced from PubChem (CID 113049629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).