N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine

C14H16N4O — CID 116970422

IUPACN'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine
SMILESNCCNc1ccc(-c2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C14H16N4O/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,5-8,15H2,(H,16,18)
InChIKeyOCNAOJSUFPRGQV-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.45
Rot. Bonds4

About N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine

N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine (PubChem CID 116970422) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine
PubChem CID116970422
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine
SMILESNCCNc1ccc(-c2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C14H16N4O/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,5-8,15H2,(H,16,18)
InChIKeyOCNAOJSUFPRGQV-UHFFFAOYSA-N
XLogP1.45
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpyridazin-3-amine
CID 104544803
2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile
CID 116971877
N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970403
N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191433
N'-[6-(4-chlorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191432
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 6411214
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
N'-[6-(2,4-dimethylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191427
1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine
CID 116897942
5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
CID 116827285

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine (CID 116970422) is N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine is NCCNc1ccc(-c2ccc3c(c2)CCO3)nn1.
What is the InChIKey of N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine?
The InChIKey is OCNAOJSUFPRGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/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,5-8,15H2,(H,16,18).
What are the key properties of N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine?
N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine has a molecular weight of 256.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 116970422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).