1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea

C16H14N4O2 — CID 71920383

IUPAC1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea
SMILESO=C(NCc1ccco1)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C16H14N4O2/c21-16(17-11-13-7-4-10-22-13)18-15-9-8-14(19-20-15)12-5-2-1-3-6-12/h1-10H,11H2,(H2,17,18,20,21)
InChIKeyJKWHLVJKBKQDKE-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.06
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea

1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea (PubChem CID 71920383) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea
PubChem CID71920383
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea
SMILESO=C(NCc1ccco1)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C16H14N4O2/c21-16(17-11-13-7-4-10-22-13)18-15-9-8-14(19-20-15)12-5-2-1-3-6-12/h1-10H,11H2,(H2,17,18,20,21)
InChIKeyJKWHLVJKBKQDKE-UHFFFAOYSA-N
XLogP3.06
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
CID 113040691
6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109117515
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 938813
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea
CID 108812279
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea (CID 71920383) is 1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea is O=C(NCc1ccco1)Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea?
The InChIKey is JKWHLVJKBKQDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(17-11-13-7-4-10-22-13)18-15-9-8-14(19-20-15)12-5-2-1-3-6-12/h1-10H,11H2,(H2,17,18,20,21).
What are the key properties of 1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea?
1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea has a molecular weight of 294.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(6-phenylpyridazin-3-yl)urea is sourced from PubChem (CID 71920383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).