3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile

C15H14N4O — CID 62065580

IUPAC3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC2COc3ccccc32)c(C#N)c1C
InChIInChI=1S/C15H14N4O/c1-9-10(2)18-19-15(12(9)7-16)17-13-8-20-14-6-4-3-5-11(13)14/h3-6,13H,8H2,1-2H3,(H,17,19)
InChIKeyAQCOHHYPZOMJMU-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.51
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile

3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 62065580) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID62065580
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC2COc3ccccc32)c(C#N)c1C
InChIInChI=1S/C15H14N4O/c1-9-10(2)18-19-15(12(9)7-16)17-13-8-20-14-6-4-3-5-11(13)14/h3-6,13H,8H2,1-2H3,(H,17,19)
InChIKeyAQCOHHYPZOMJMU-UHFFFAOYSA-N
XLogP2.51
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile (CID 62065580) is 3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NC2COc3ccccc32)c(C#N)c1C.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is AQCOHHYPZOMJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-10(2)18-19-15(12(9)7-16)17-13-8-20-14-6-4-3-5-11(13)14/h3-6,13H,8H2,1-2H3,(H,17,19).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 62065580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).