5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine

C14H21F2N5 — CID 90411621

IUPAC5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine
SMILESNc1cnncc1N1CCC(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H21F2N5/c15-14(16)3-6-20(10-14)9-11-1-4-21(5-2-11)13-8-19-18-7-12(13)17/h7-8,11H,1-6,9-10H2,(H2,17,19)
InChIKeyJXYCMUCIBRAAOV-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.62
Rot. Bonds3

About 5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine

5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine (PubChem CID 90411621) has the molecular formula C14H21F2N5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine.

Molecular Properties

Compound Name5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine
PubChem CID90411621
Molecular FormulaC14H21F2N5
Molecular Weight297.35 g/mol
Exact Mass297.18
IUPAC Name5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine
SMILESNc1cnncc1N1CCC(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H21F2N5/c15-14(16)3-6-20(10-14)9-11-1-4-21(5-2-11)13-8-19-18-7-12(13)17/h7-8,11H,1-6,9-10H2,(H2,17,19)
InChIKeyJXYCMUCIBRAAOV-UHFFFAOYSA-N
XLogP1.62
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine?
The IUPAC name of 5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine (CID 90411621) is 5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine.
What is the SMILES notation for 5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine?
The canonical SMILES for 5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine is Nc1cnncc1N1CCC(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of 5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine?
The InChIKey is JXYCMUCIBRAAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5/c15-14(16)3-6-20(10-14)9-11-1-4-21(5-2-11)13-8-19-18-7-12(13)17/h7-8,11H,1-6,9-10H2,(H2,17,19).
What are the key properties of 5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine?
5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine has a molecular weight of 297.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-amine is sourced from PubChem (CID 90411621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).