3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile

C14H14N4 — CID 80509735

IUPAC3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1ccccc1CNc1nnccc1C#N
InChIInChI=1S/C14H14N4/c1-2-11-5-3-4-6-13(11)10-16-14-12(9-15)7-8-17-18-14/h3-8H,2,10H2,1H3,(H,16,18)
InChIKeyOBRXQOHPSJWEHO-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.52
Rot. Bonds4

About 3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile

3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 80509735) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
PubChem CID80509735
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1ccccc1CNc1nnccc1C#N
InChIInChI=1S/C14H14N4/c1-2-11-5-3-4-6-13(11)10-16-14-12(9-15)7-8-17-18-14/h3-8H,2,10H2,1H3,(H,16,18)
InChIKeyOBRXQOHPSJWEHO-UHFFFAOYSA-N
XLogP2.52
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromophenyl)methylamino]pyridazine-4-carbonitrile
CID 80510383
3-(naphthalen-1-ylmethylamino)pyridazine-4-carbonitrile
CID 80509832
3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 80515426
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
4-[[(4-cyanopyridazin-3-yl)amino]methyl]benzoic acid
CID 80507966
3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile
CID 80515387
3-(furan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80508635
3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509293
3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 80516234
3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile
CID 131246897
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile (CID 80509735) is 3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile is CCc1ccccc1CNc1nnccc1C#N.
What is the InChIKey of 3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is OBRXQOHPSJWEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-11-5-3-4-6-13(11)10-16-14-12(9-15)7-8-17-18-14/h3-8H,2,10H2,1H3,(H,16,18).
What are the key properties of 3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile?
3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).