3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile

C11H16N4 — CID 55211264

IUPAC3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1cccnn1
InChIInChI=1S/C11H16N4/c1-10(2)9-15(8-4-6-12)11-5-3-7-13-14-11/h3,5,7,10H,4,8-9H2,1-2H3
InChIKeyWYRKKULTSULYDM-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.85
Rot. Bonds5

About 3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile

3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile (PubChem CID 55211264) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile
PubChem CID55211264
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1cccnn1
InChIInChI=1S/C11H16N4/c1-10(2)9-15(8-4-6-12)11-5-3-7-13-14-11/h3,5,7,10H,4,8-9H2,1-2H3
InChIKeyWYRKKULTSULYDM-UHFFFAOYSA-N
XLogP1.85
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile?
The IUPAC name of 3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile (CID 55211264) is 3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile is CC(C)CN(CCC#N)c1cccnn1.
What is the InChIKey of 3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile?
The InChIKey is WYRKKULTSULYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-10(2)9-15(8-4-6-12)11-5-3-7-13-14-11/h3,5,7,10H,4,8-9H2,1-2H3.
What are the key properties of 3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile?
3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile has a molecular weight of 204.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(pyridazin-3-yl)amino]propanenitrile is sourced from PubChem (CID 55211264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).