1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea

C14H14BrN5O — CID 113050115

IUPAC1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(Nc2cccc(Br)c2)nn1)NC1CC1
InChIInChI=1S/C14H14BrN5O/c15-9-2-1-3-11(8-9)16-12-6-7-13(20-19-12)18-14(21)17-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,16,19)(H2,17,18,20,21)
InChIKeyHUWIBCGFDPJOKX-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.27
Rot. Bonds4

About 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea

1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea (PubChem CID 113050115) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
PubChem CID113050115
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(Nc2cccc(Br)c2)nn1)NC1CC1
InChIInChI=1S/C14H14BrN5O/c15-9-2-1-3-11(8-9)16-12-6-7-13(20-19-12)18-14(21)17-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,16,19)(H2,17,18,20,21)
InChIKeyHUWIBCGFDPJOKX-UHFFFAOYSA-N
XLogP3.27
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113048047
1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea
CID 113050107
1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113050196
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
CID 113049902
1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
CID 113049629
6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152271
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848
1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
CID 108902777
4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201843

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea?
The IUPAC name of 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea (CID 113050115) is 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea is O=C(Nc1ccc(Nc2cccc(Br)c2)nn1)NC1CC1.
What is the InChIKey of 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea?
The InChIKey is HUWIBCGFDPJOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c15-9-2-1-3-11(8-9)16-12-6-7-13(20-19-12)18-14(21)17-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,16,19)(H2,17,18,20,21).
What are the key properties of 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea?
1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea has a molecular weight of 348.20 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea is sourced from PubChem (CID 113050115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).