6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine

C14H17F2N3O2 — CID 64690125

IUPAC6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine
SMILESCCOc1cc(C2=NN=C(N)CC2C)ccc1OC(F)F
InChIInChI=1S/C14H17F2N3O2/c1-3-20-11-7-9(4-5-10(11)21-14(15)16)13-8(2)6-12(17)18-19-13/h4-5,7-8,14H,3,6H2,1-2H3,(H2,17,18)
InChIKeyJCSMKZQYUPXWJL-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.79
Rot. Bonds5

About 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine

6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine (PubChem CID 64690125) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine
PubChem CID64690125
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine
SMILESCCOc1cc(C2=NN=C(N)CC2C)ccc1OC(F)F
InChIInChI=1S/C14H17F2N3O2/c1-3-20-11-7-9(4-5-10(11)21-14(15)16)13-8(2)6-12(17)18-19-13/h4-5,7-8,14H,3,6H2,1-2H3,(H2,17,18)
InChIKeyJCSMKZQYUPXWJL-UHFFFAOYSA-N
XLogP2.79
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine (CID 64690125) is 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine is CCOc1cc(C2=NN=C(N)CC2C)ccc1OC(F)F.
What is the InChIKey of 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine?
The InChIKey is JCSMKZQYUPXWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-3-20-11-7-9(4-5-10(11)21-14(15)16)13-8(2)6-12(17)18-19-13/h4-5,7-8,14H,3,6H2,1-2H3,(H2,17,18).
What are the key properties of 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine?
6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine has a molecular weight of 297.31 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64690125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).