1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine

C10H13F2N3O — CID 163383031

IUPAC1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine
SMILESFC(F)Oc1ccc(CNCC2CC2)nn1
InChIInChI=1S/C10H13F2N3O/c11-10(12)16-9-4-3-8(14-15-9)6-13-5-7-1-2-7/h3-4,7,10,13H,1-2,5-6H2
InChIKeyKCKQZWVJPAJWSB-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.58
Rot. Bonds6

About 1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine

1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine (PubChem CID 163383031) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine
PubChem CID163383031
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine
SMILESFC(F)Oc1ccc(CNCC2CC2)nn1
InChIInChI=1S/C10H13F2N3O/c11-10(12)16-9-4-3-8(14-15-9)6-13-5-7-1-2-7/h3-4,7,10,13H,1-2,5-6H2
InChIKeyKCKQZWVJPAJWSB-UHFFFAOYSA-N
XLogP1.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine (CID 163383031) is 1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine is FC(F)Oc1ccc(CNCC2CC2)nn1.
What is the InChIKey of 1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine?
The InChIKey is KCKQZWVJPAJWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-10(12)16-9-4-3-8(14-15-9)6-13-5-7-1-2-7/h3-4,7,10,13H,1-2,5-6H2.
What are the key properties of 1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine?
1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine has a molecular weight of 229.23 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine is sourced from PubChem (CID 163383031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).