[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine

C10H14F2N4 — CID 137377939

IUPAC[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine
SMILESCc1cc(CN)nnc1N1CCC(F)(F)C1
InChIInChI=1S/C10H14F2N4/c1-7-4-8(5-13)14-15-9(7)16-3-2-10(11,12)6-16/h4H,2-3,5-6,13H2,1H3
InChIKeyIBWJAFIQOPYBDF-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.09
Rot. Bonds2

About [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine

[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine (PubChem CID 137377939) has the molecular formula C10H14F2N4 and a molecular weight of 228.25 g/mol. Its IUPAC name is [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine
PubChem CID137377939
Molecular FormulaC10H14F2N4
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine
SMILESCc1cc(CN)nnc1N1CCC(F)(F)C1
InChIInChI=1S/C10H14F2N4/c1-7-4-8(5-13)14-15-9(7)16-3-2-10(11,12)6-16/h4H,2-3,5-6,13H2,1H3
InChIKeyIBWJAFIQOPYBDF-UHFFFAOYSA-N
XLogP1.09
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine?
The IUPAC name of [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine (CID 137377939) is [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine?
The canonical SMILES for [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine is Cc1cc(CN)nnc1N1CCC(F)(F)C1.
What is the InChIKey of [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine?
The InChIKey is IBWJAFIQOPYBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4/c1-7-4-8(5-13)14-15-9(7)16-3-2-10(11,12)6-16/h4H,2-3,5-6,13H2,1H3.
What are the key properties of [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine?
[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine has a molecular weight of 228.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine is sourced from PubChem (CID 137377939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).