6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine

C16H21N3O — CID 64690327

IUPAC6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine
SMILESCCC1CC(N)=NN=C1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C16H21N3O/c1-4-10-8-13(17)18-19-14(10)12-7-5-6-11-9-16(2,3)20-15(11)12/h5-7,10H,4,8-9H2,1-3H3,(H2,17,18)
InChIKeyMRZKFBNYYCOFRH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.89
Rot. Bonds2

About 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine

6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine (PubChem CID 64690327) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine
PubChem CID64690327
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine
SMILESCCC1CC(N)=NN=C1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C16H21N3O/c1-4-10-8-13(17)18-19-14(10)12-7-5-6-11-9-16(2,3)20-15(11)12/h5-7,10H,4,8-9H2,1-3H3,(H2,17,18)
InChIKeyMRZKFBNYYCOFRH-UHFFFAOYSA-N
XLogP2.89
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 129009824
CID 129009824
CID 64689910
CID 64689910
CID 64690741
CID 64690741
CID 64691160
CID 64691160
CID 64691772
CID 64691772
CID 64691979
CID 64691979
CID 64692599
CID 64692599
CID 70425952
CID 70425952
CID 88409630
CID 88409630
CID 90698550
CID 90698550
CID 123750509
CID 123750509
CID 130349520
CID 130349520

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine (CID 64690327) is 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine is CCC1CC(N)=NN=C1c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine?
The InChIKey is MRZKFBNYYCOFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-10-8-13(17)18-19-14(10)12-7-5-6-11-9-16(2,3)20-15(11)12/h5-7,10H,4,8-9H2,1-3H3,(H2,17,18).
What are the key properties of 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine?
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine has a molecular weight of 271.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-ethyl-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64690327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).