3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile

C13H13N5 — CID 80514883

IUPAC3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCc1ccc(N)cc1
InChIInChI=1S/C13H13N5/c14-9-11-6-8-17-18-13(11)16-7-5-10-1-3-12(15)4-2-10/h1-4,6,8H,5,7,15H2,(H,16,18)
InChIKeyRHEVDTBZEIMCRL-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.59
Rot. Bonds4

About 3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile

3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 80514883) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
PubChem CID80514883
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCc1ccc(N)cc1
InChIInChI=1S/C13H13N5/c14-9-11-6-8-17-18-13(11)16-7-5-10-1-3-12(15)4-2-10/h1-4,6,8H,5,7,15H2,(H,16,18)
InChIKeyRHEVDTBZEIMCRL-UHFFFAOYSA-N
XLogP1.59
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80510280
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
4-[2-[(4-cyanopyridazin-3-yl)amino]ethyl]benzoic acid
CID 80507896
3-[2-(4-aminophenoxy)ethylamino]pyridazine-4-carbonitrile
CID 80514941
3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 106034912
3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile
CID 80510566
3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 80516234
3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816871
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 80509197
3-[1-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80516551

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile (CID 80514883) is 3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile is N#Cc1ccnnc1NCCc1ccc(N)cc1.
What is the InChIKey of 3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is RHEVDTBZEIMCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-9-11-6-8-17-18-13(11)16-7-5-10-1-3-12(15)4-2-10/h1-4,6,8H,5,7,15H2,(H,16,18).
What are the key properties of 3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile?
3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80514883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).