2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile

C14H12N4O — CID 116971877

IUPAC2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile
SMILESN#CCNc1ccc(-c2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C14H12N4O/c15-6-7-16-14-4-2-12(17-18-14)10-1-3-13-11(9-10)5-8-19-13/h1-4,9H,5,7-8H2,(H,16,18)
InChIKeyOKNYSVNJICDGOT-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.01
Rot. Bonds3

About 2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile

2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile (PubChem CID 116971877) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile
PubChem CID116971877
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile
SMILESN#CCNc1ccc(-c2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C14H12N4O/c15-6-7-16-14-4-2-12(17-18-14)10-1-3-13-11(9-10)5-8-19-13/h1-4,9H,5,7-8H2,(H,16,18)
InChIKeyOKNYSVNJICDGOT-UHFFFAOYSA-N
XLogP2.01
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

6-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpyridazin-3-amine
CID 104544803
N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970422
2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]acetonitrile
CID 116971838
5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
CID 116827285
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 6411214
2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile
CID 116864630
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
CID 116967801
1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine
CID 116897942
2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]acetonitrile
CID 115130911
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120704421

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile?
The IUPAC name of 2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile (CID 116971877) is 2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile?
The canonical SMILES for 2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile is N#CCNc1ccc(-c2ccc3c(c2)CCO3)nn1.
What is the InChIKey of 2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile?
The InChIKey is OKNYSVNJICDGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-6-7-16-14-4-2-12(17-18-14)10-1-3-13-11(9-10)5-8-19-13/h1-4,9H,5,7-8H2,(H,16,18).
What are the key properties of 2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile?
2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile has a molecular weight of 252.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile is sourced from PubChem (CID 116971877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).