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

C16H15N5O2 — CID 113040691

IUPAC1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(NCc2ccco2)nn1
InChIInChI=1S/C16H15N5O2/c22-16(18-12-5-2-1-3-6-12)19-15-9-8-14(20-21-15)17-11-13-7-4-10-23-13/h1-10H,11H2,(H,17,20)(H2,18,19,21,22)
InChIKeyMYJJOTUEOIKDRP-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.33
Rot. Bonds5

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

1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea (PubChem CID 113040691) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
PubChem CID113040691
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(NCc2ccco2)nn1
InChIInChI=1S/C16H15N5O2/c22-16(18-12-5-2-1-3-6-12)19-15-9-8-14(20-21-15)17-11-13-7-4-10-23-13/h1-10H,11H2,(H,17,20)(H2,18,19,21,22)
InChIKeyMYJJOTUEOIKDRP-UHFFFAOYSA-N
XLogP3.33
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834
2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040647
1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea
CID 71920383
N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117446
1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
CID 113041714
6-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109346189
N-[4-[[6-(furan-2-ylmethylamino)pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113040735
3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040674
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113040667
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113040689
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
6-(furan-2-ylmethylamino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109117450

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea?
The IUPAC name of 1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea (CID 113040691) is 1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(NCc2ccco2)nn1.
What is the InChIKey of 1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea?
The InChIKey is MYJJOTUEOIKDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-16(18-12-5-2-1-3-6-12)19-15-9-8-14(20-21-15)17-11-13-7-4-10-23-13/h1-10H,11H2,(H,17,20)(H2,18,19,21,22).
What are the key properties of 1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea?
1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea has a molecular weight of 309.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea is sourced from PubChem (CID 113040691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).