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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Related Compounds

6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile
CID 141208354
1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165035
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329265
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
3-amino-6-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carbonitrile
CID 103468676
6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile
CID 146386502
4-tert-butyl-N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 139547891
6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile
CID 133433199
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337

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).