3-(2-phenylethylamino)pyridazine-4-carbonitrile

C13H12N4 — CID 80509461

IUPAC3-(2-phenylethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCc1ccccc1
InChIInChI=1S/C13H12N4/c14-10-12-7-9-16-17-13(12)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8H2,(H,15,17)
InChIKeyCKQULBCKHIVINQ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds4

About 3-(2-phenylethylamino)pyridazine-4-carbonitrile

3-(2-phenylethylamino)pyridazine-4-carbonitrile (PubChem CID 80509461) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-(2-phenylethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-phenylethylamino)pyridazine-4-carbonitrile
PubChem CID80509461
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3-(2-phenylethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCc1ccccc1
InChIInChI=1S/C13H12N4/c14-10-12-7-9-16-17-13(12)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8H2,(H,15,17)
InChIKeyCKQULBCKHIVINQ-UHFFFAOYSA-N
XLogP2.00
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80510280
3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80514883
4-[2-[(4-cyanopyridazin-3-yl)amino]ethyl]benzoic acid
CID 80507896
3-(3-phenoxypropylamino)pyridazine-4-carbonitrile
CID 80509509
3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80510445
3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile
CID 80515387
3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 106034912
7-[(4-cyanopyridazin-3-yl)amino]heptanoic acid
CID 80508044
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2-phenylethylamino)pyridazine-4-carbonitrile (CID 80509461) is 3-(2-phenylethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-phenylethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-phenylethylamino)pyridazine-4-carbonitrile is N#Cc1ccnnc1NCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethylamino)pyridazine-4-carbonitrile?
The InChIKey is CKQULBCKHIVINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-10-12-7-9-16-17-13(12)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8H2,(H,15,17).
What are the key properties of 3-(2-phenylethylamino)pyridazine-4-carbonitrile?
3-(2-phenylethylamino)pyridazine-4-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).