6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine

C10H14F2N4O — CID 163237787

IUPAC6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine
SMILESCOc1nnc(C2CNCCC2(F)F)cc1N
InChIInChI=1S/C10H14F2N4O/c1-17-9-7(13)4-8(15-16-9)6-5-14-3-2-10(6,11)12/h4,6,14H,2-3,5H2,1H3,(H2,13,15)
InChIKeyWQZSLWNNWUBEQQ-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.78
Rot. Bonds2

About 6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine

6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine (PubChem CID 163237787) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine
PubChem CID163237787
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine
SMILESCOc1nnc(C2CNCCC2(F)F)cc1N
InChIInChI=1S/C10H14F2N4O/c1-17-9-7(13)4-8(15-16-9)6-5-14-3-2-10(6,11)12/h4,6,14H,2-3,5H2,1H3,(H2,13,15)
InChIKeyWQZSLWNNWUBEQQ-UHFFFAOYSA-N
XLogP0.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine?
The IUPAC name of 6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine (CID 163237787) is 6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine.
What is the SMILES notation for 6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine?
The canonical SMILES for 6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine is COc1nnc(C2CNCCC2(F)F)cc1N.
What is the InChIKey of 6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine?
The InChIKey is WQZSLWNNWUBEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-17-9-7(13)4-8(15-16-9)6-5-14-3-2-10(6,11)12/h4,6,14H,2-3,5H2,1H3,(H2,13,15).
What are the key properties of 6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine?
6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine has a molecular weight of 244.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-3-yl)-3-methoxypyridazin-4-amine is sourced from PubChem (CID 163237787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).