3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile

C15H16N4 — CID 80510445

IUPAC3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile
SMILESCC(CCc1ccccc1)Nc1nnccc1C#N
InChIInChI=1S/C15H16N4/c1-12(7-8-13-5-3-2-4-6-13)18-15-14(11-16)9-10-17-19-15/h2-6,9-10,12H,7-8H2,1H3,(H,18,19)
InChIKeyXIHGQZWBDCUIFF-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds5

About 3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile

3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile (PubChem CID 80510445) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile
PubChem CID80510445
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile
SMILESCC(CCc1ccccc1)Nc1nnccc1C#N
InChIInChI=1S/C15H16N4/c1-12(7-8-13-5-3-2-4-6-13)18-15-14(11-16)9-10-17-19-15/h2-6,9-10,12H,7-8H2,1H3,(H,18,19)
InChIKeyXIHGQZWBDCUIFF-UHFFFAOYSA-N
XLogP2.78
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylbutan-2-ylamino)benzene-1,3-dicarbonitrile
CID 133498329
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80509239
N-(4-phenylbutan-2-yl)phthalazin-1-amine
CID 60631726
3-(hexan-3-ylamino)pyridazine-4-carbonitrile
CID 80509692
5-bromo-2-(4-phenylbutan-2-ylamino)benzonitrile
CID 82708146
2-bromo-4-[[(2S)-4-phenylbutan-2-yl]amino]pyridine-3-carbonitrile
CID 86696509
3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509735
3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile
CID 80515387
3-[1-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80516551
3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile
CID 80510343
4-chloro-2-[[(2R)-4-phenylbutan-2-yl]amino]-1,3-thiazole-5-carbonitrile
CID 7100783

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile (CID 80510445) is 3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile is CC(CCc1ccccc1)Nc1nnccc1C#N.
What is the InChIKey of 3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile?
The InChIKey is XIHGQZWBDCUIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-12(7-8-13-5-3-2-4-6-13)18-15-14(11-16)9-10-17-19-15/h2-6,9-10,12H,7-8H2,1H3,(H,18,19).
What are the key properties of 3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile?
3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).