3-(3-phenoxypropylamino)pyridazine-4-carbonitrile

C14H14N4O — CID 80509509

IUPAC3-(3-phenoxypropylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCCOc1ccccc1
InChIInChI=1S/C14H14N4O/c15-11-12-7-9-17-18-14(12)16-8-4-10-19-13-5-2-1-3-6-13/h1-3,5-7,9H,4,8,10H2,(H,16,18)
InChIKeyDWBAIBQMMZXKDN-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.23
Rot. Bonds6

About 3-(3-phenoxypropylamino)pyridazine-4-carbonitrile

3-(3-phenoxypropylamino)pyridazine-4-carbonitrile (PubChem CID 80509509) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(3-phenoxypropylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-phenoxypropylamino)pyridazine-4-carbonitrile
PubChem CID80509509
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-(3-phenoxypropylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCCOc1ccccc1
InChIInChI=1S/C14H14N4O/c15-11-12-7-9-17-18-14(12)16-8-4-10-19-13-5-2-1-3-6-13/h1-3,5-7,9H,4,8,10H2,(H,16,18)
InChIKeyDWBAIBQMMZXKDN-UHFFFAOYSA-N
XLogP2.23
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-aminophenoxy)ethylamino]pyridazine-4-carbonitrile
CID 80514941
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
3-[3-(2-methylpropoxy)propylamino]pyridazine-4-carbonitrile
CID 114097998
3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
CID 55133688
7-[(4-cyanopyridazin-3-yl)amino]heptanoic acid
CID 80508044
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325
3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile
CID 80510566
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189
3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile
CID 80515387
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80514883

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxypropylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3-phenoxypropylamino)pyridazine-4-carbonitrile (CID 80509509) is 3-(3-phenoxypropylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-phenoxypropylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-phenoxypropylamino)pyridazine-4-carbonitrile is N#Cc1ccnnc1NCCCOc1ccccc1.
What is the InChIKey of 3-(3-phenoxypropylamino)pyridazine-4-carbonitrile?
The InChIKey is DWBAIBQMMZXKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-11-12-7-9-17-18-14(12)16-8-4-10-19-13-5-2-1-3-6-13/h1-3,5-7,9H,4,8,10H2,(H,16,18).
What are the key properties of 3-(3-phenoxypropylamino)pyridazine-4-carbonitrile?
3-(3-phenoxypropylamino)pyridazine-4-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxypropylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).