6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile

C10H10F2N4 — CID 137377714

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile
SMILESCc1cc(C#N)nnc1N1CCC(F)(F)C1
InChIInChI=1S/C10H10F2N4/c1-7-4-8(5-13)14-15-9(7)16-3-2-10(11,12)6-16/h4H,2-3,6H2,1H3
InChIKeyVOQBSGOHHKQNCI-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.50
Rot. Bonds1

About 6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile

6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile (PubChem CID 137377714) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile
PubChem CID137377714
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile
SMILESCc1cc(C#N)nnc1N1CCC(F)(F)C1
InChIInChI=1S/C10H10F2N4/c1-7-4-8(5-13)14-15-9(7)16-3-2-10(11,12)6-16/h4H,2-3,6H2,1H3
InChIKeyVOQBSGOHHKQNCI-UHFFFAOYSA-N
XLogP1.50
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile (CID 137377714) is 6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile is Cc1cc(C#N)nnc1N1CCC(F)(F)C1.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile?
The InChIKey is VOQBSGOHHKQNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-7-4-8(5-13)14-15-9(7)16-3-2-10(11,12)6-16/h4H,2-3,6H2,1H3.
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile?
6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile has a molecular weight of 224.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile is sourced from PubChem (CID 137377714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).