1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine

C12H15N3O — CID 106894984

IUPAC1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1cccnn1
InChIInChI=1S/C12H15N3O/c1-10(8-12-5-3-7-16-12)13-9-11-4-2-6-14-15-11/h2-7,10,13H,8-9H2,1H3
InChIKeyWGKACTWTAZARRX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.79
Rot. Bonds5

About 1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine

1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine (PubChem CID 106894984) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine
PubChem CID106894984
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1cccnn1
InChIInChI=1S/C12H15N3O/c1-10(8-12-5-3-7-16-12)13-9-11-4-2-6-14-15-11/h2-7,10,13H,8-9H2,1H3
InChIKeyWGKACTWTAZARRX-UHFFFAOYSA-N
XLogP1.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
CID 64771807
1-(furan-2-yl)-N-(quinolin-2-ylmethyl)propan-2-amine
CID 61043173
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine
CID 66379865
1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106895370
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
1-(furan-2-ylmethyl)-2-methyl-3-(pyridazin-3-ylmethyl)guanidine;hydroiodide
CID 120580517
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
1-(furan-2-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43783211
N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053
1-cyclobutyl-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106895211

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine (CID 106894984) is 1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine is CC(Cc1ccco1)NCc1cccnn1.
What is the InChIKey of 1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine?
The InChIKey is WGKACTWTAZARRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10(8-12-5-3-7-16-12)13-9-11-4-2-6-14-15-11/h2-7,10,13H,8-9H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine?
1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine has a molecular weight of 217.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 106894984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).