6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine

C11H11FN4 — CID 117106661

IUPAC6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine
SMILESNc1cc(Cc2ccccc2F)nnc1N
InChIInChI=1S/C11H11FN4/c12-9-4-2-1-3-7(9)5-8-6-10(13)11(14)16-15-8/h1-4,6H,5H2,(H2,13,15)(H2,14,16)
InChIKeyKRBGGJYMKHDEBO-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.37
Rot. Bonds2

About 6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine

6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine (PubChem CID 117106661) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine
PubChem CID117106661
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine
SMILESNc1cc(Cc2ccccc2F)nnc1N
InChIInChI=1S/C11H11FN4/c12-9-4-2-1-3-7(9)5-8-6-10(13)11(14)16-15-8/h1-4,6H,5H2,(H2,13,15)(H2,14,16)
InChIKeyKRBGGJYMKHDEBO-UHFFFAOYSA-N
XLogP1.37
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine?
The IUPAC name of 6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine (CID 117106661) is 6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine is Nc1cc(Cc2ccccc2F)nnc1N.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine?
The InChIKey is KRBGGJYMKHDEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c12-9-4-2-1-3-7(9)5-8-6-10(13)11(14)16-15-8/h1-4,6H,5H2,(H2,13,15)(H2,14,16).
What are the key properties of 6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine?
6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine has a molecular weight of 218.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]pyridazine-3,4-diamine is sourced from PubChem (CID 117106661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).