3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile

C12H17N5 — CID 80509898

IUPAC3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile
SMILESCN(CC1CCCN1C)c1nnccc1C#N
InChIInChI=1S/C12H17N5/c1-16-7-3-4-11(16)9-17(2)12-10(8-13)5-6-14-15-12/h5-6,11H,3-4,7,9H2,1-2H3
InChIKeyWUPHYEIJFPVSHS-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.88
Rot. Bonds3

About 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile

3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile (PubChem CID 80509898) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile
PubChem CID80509898
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile
SMILESCN(CC1CCCN1C)c1nnccc1C#N
InChIInChI=1S/C12H17N5/c1-16-7-3-4-11(16)9-17(2)12-10(8-13)5-6-14-15-12/h5-6,11H,3-4,7,9H2,1-2H3
InChIKeyWUPHYEIJFPVSHS-UHFFFAOYSA-N
XLogP0.88
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile (CID 80509898) is 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile is CN(CC1CCCN1C)c1nnccc1C#N.
What is the InChIKey of 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile?
The InChIKey is WUPHYEIJFPVSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-7-3-4-11(16)9-17(2)12-10(8-13)5-6-14-15-12/h5-6,11H,3-4,7,9H2,1-2H3.
What are the key properties of 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile?
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).