6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile

C11H15N5 — CID 145425808

IUPAC6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
SMILESCN(C)[C@H]1CCN(c2ccc(C#N)nn2)C1
InChIInChI=1S/C11H15N5/c1-15(2)10-5-6-16(8-10)11-4-3-9(7-12)13-14-11/h3-4,10H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyJISOOJXPRUHXLZ-JTQLQIEISA-N
MW217.28 g/mol
LogP0.49
Rot. Bonds2

About 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile

6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 145425808) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
PubChem CID145425808
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
SMILESCN(C)[C@H]1CCN(c2ccc(C#N)nn2)C1
InChIInChI=1S/C11H15N5/c1-15(2)10-5-6-16(8-10)11-4-3-9(7-12)13-14-11/h3-4,10H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyJISOOJXPRUHXLZ-JTQLQIEISA-N
XLogP0.49
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile (CID 145425808) is 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile is CN(C)[C@H]1CCN(c2ccc(C#N)nn2)C1.
What is the InChIKey of 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is JISOOJXPRUHXLZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15N5/c1-15(2)10-5-6-16(8-10)11-4-3-9(7-12)13-14-11/h3-4,10H,5-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile?
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 145425808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).