1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea

C14H13Cl2N5O — CID 113050834

IUPAC1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea
SMILESO=C(Nc1ccc(Nc2cc(Cl)ccc2Cl)nn1)NC1CC1
InChIInChI=1S/C14H13Cl2N5O/c15-8-1-4-10(16)11(7-8)18-12-5-6-13(21-20-12)19-14(22)17-9-2-3-9/h1,4-7,9H,2-3H2,(H,18,20)(H2,17,19,21,22)
InChIKeyBMPDMJZUUJYQGU-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.81
Rot. Bonds4

About 1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea

1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea (PubChem CID 113050834) has the molecular formula C14H13Cl2N5O and a molecular weight of 338.20 g/mol. Its IUPAC name is 1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea
PubChem CID113050834
Molecular FormulaC14H13Cl2N5O
Molecular Weight338.20 g/mol
Exact Mass337.05
IUPAC Name1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea
SMILESO=C(Nc1ccc(Nc2cc(Cl)ccc2Cl)nn1)NC1CC1
InChIInChI=1S/C14H13Cl2N5O/c15-8-1-4-10(16)11(7-8)18-12-5-6-13(21-20-12)19-14(22)17-9-2-3-9/h1,4-7,9H,2-3H2,(H,18,20)(H2,17,19,21,22)
InChIKeyBMPDMJZUUJYQGU-UHFFFAOYSA-N
XLogP3.81
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]benzoate
CID 113049545
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
1-cyclopropyl-3-[6-(2,4-difluoroanilino)pyridazin-3-yl]urea
CID 113050539
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113050816
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
CID 113051505
1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea
CID 64920032
1-[6-(4-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113048047
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050818

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea (CID 113050834) is 1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea is O=C(Nc1ccc(Nc2cc(Cl)ccc2Cl)nn1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea?
The InChIKey is BMPDMJZUUJYQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O/c15-8-1-4-10(16)11(7-8)18-12-5-6-13(21-20-12)19-14(22)17-9-2-3-9/h1,4-7,9H,2-3H2,(H,18,20)(H2,17,19,21,22).
What are the key properties of 1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea?
1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea has a molecular weight of 338.20 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea is sourced from PubChem (CID 113050834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).