N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine

C14H17FN4O — CID 163996141

IUPACN-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine
SMILESCC(F)Oc1cccc(C(C)(C)Nc2cccnn2)n1
InChIInChI=1S/C14H17FN4O/c1-10(15)20-13-8-4-6-11(17-13)14(2,3)18-12-7-5-9-16-19-12/h4-10H,1-3H3,(H,18,19)
InChIKeyUEVVYIFDZWGUFA-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine

N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine (PubChem CID 163996141) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine
PubChem CID163996141
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC NameN-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine
SMILESCC(F)Oc1cccc(C(C)(C)Nc2cccnn2)n1
InChIInChI=1S/C14H17FN4O/c1-10(15)20-13-8-4-6-11(17-13)14(2,3)18-12-7-5-9-16-19-12/h4-10H,1-3H3,(H,18,19)
InChIKeyUEVVYIFDZWGUFA-UHFFFAOYSA-N
XLogP2.91
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine?
The IUPAC name of N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine (CID 163996141) is N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine.
What is the SMILES notation for N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine?
The canonical SMILES for N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine is CC(F)Oc1cccc(C(C)(C)Nc2cccnn2)n1.
What is the InChIKey of N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine?
The InChIKey is UEVVYIFDZWGUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10(15)20-13-8-4-6-11(17-13)14(2,3)18-12-7-5-9-16-19-12/h4-10H,1-3H3,(H,18,19).
What are the key properties of N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine?
N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine has a molecular weight of 276.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(1-fluoroethoxy)-2-pyridinyl]propan-2-yl]pyridazin-3-amine is sourced from PubChem (CID 163996141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).