1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one

C18H21FN4O2 — CID 56778401

IUPAC1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one
SMILESCCNc1cc2c(nn1)CCN(C(=O)CCOc1ccccc1F)C2
InChIInChI=1S/C18H21FN4O2/c1-2-20-17-11-13-12-23(9-7-15(13)21-22-17)18(24)8-10-25-16-6-4-3-5-14(16)19/h3-6,11H,2,7-10,12H2,1H3,(H,20,22)
InChIKeyAUCPHBAEXRGZMR-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.40
Rot. Bonds6

About 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one

1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one (PubChem CID 56778401) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one
PubChem CID56778401
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one
SMILESCCNc1cc2c(nn1)CCN(C(=O)CCOc1ccccc1F)C2
InChIInChI=1S/C18H21FN4O2/c1-2-20-17-11-13-12-23(9-7-15(13)21-22-17)18(24)8-10-25-16-6-4-3-5-14(16)19/h3-6,11H,2,7-10,12H2,1H3,(H,20,22)
InChIKeyAUCPHBAEXRGZMR-UHFFFAOYSA-N
XLogP2.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one?
The IUPAC name of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one (CID 56778401) is 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one.
What is the SMILES notation for 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one?
The canonical SMILES for 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one is CCNc1cc2c(nn1)CCN(C(=O)CCOc1ccccc1F)C2.
What is the InChIKey of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one?
The InChIKey is AUCPHBAEXRGZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-2-20-17-11-13-12-23(9-7-15(13)21-22-17)18(24)8-10-25-16-6-4-3-5-14(16)19/h3-6,11H,2,7-10,12H2,1H3,(H,20,22).
What are the key properties of 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one?
1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one has a molecular weight of 344.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-3-(2-fluorophenoxy)propan-1-one is sourced from PubChem (CID 56778401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).