3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile

C13H21N5 — CID 80509197

IUPAC3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
SMILESCC(C)N(CCNc1nnccc1C#N)C(C)C
InChIInChI=1S/C13H21N5/c1-10(2)18(11(3)4)8-7-15-13-12(9-14)5-6-16-17-13/h5-6,10-11H,7-8H2,1-4H3,(H,15,17)
InChIKeyXFBXJMGEEMPTFR-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.88
Rot. Bonds6

About 3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile

3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile (PubChem CID 80509197) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
PubChem CID80509197
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
SMILESCC(C)N(CCNc1nnccc1C#N)C(C)C
InChIInChI=1S/C13H21N5/c1-10(2)18(11(3)4)8-7-15-13-12(9-14)5-6-16-17-13/h5-6,10-11H,7-8H2,1-4H3,(H,15,17)
InChIKeyXFBXJMGEEMPTFR-UHFFFAOYSA-N
XLogP1.88
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide
CID 106338532
3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile
CID 80510566
3-[3-(2-methylpropoxy)propylamino]pyridazine-4-carbonitrile
CID 114097998
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
3-(propan-2-ylamino)pyridazine-4-carbonitrile
CID 14042730
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325
3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile
CID 80515860
3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80510280
3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80514883
3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80509239

Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile (CID 80509197) is 3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile is CC(C)N(CCNc1nnccc1C#N)C(C)C.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile?
The InChIKey is XFBXJMGEEMPTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(2)18(11(3)4)8-7-15-13-12(9-14)5-6-16-17-13/h5-6,10-11H,7-8H2,1-4H3,(H,15,17).
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile?
3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile has a molecular weight of 247.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).