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

C11H11FN4 — CID 117106538

IUPAC6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine
SMILESNc1cc(Cc2cccc(F)c2)nnc1N
InChIInChI=1S/C11H11FN4/c12-8-3-1-2-7(4-8)5-9-6-10(13)11(14)16-15-9/h1-4,6H,5H2,(H2,13,15)(H2,14,16)
InChIKeyZCMVQRSKLNNHEJ-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.37
Rot. Bonds2

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

6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine (PubChem CID 117106538) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine
PubChem CID117106538
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine
SMILESNc1cc(Cc2cccc(F)c2)nnc1N
InChIInChI=1S/C11H11FN4/c12-8-3-1-2-7(4-8)5-9-6-10(13)11(14)16-15-9/h1-4,6H,5H2,(H2,13,15)(H2,14,16)
InChIKeyZCMVQRSKLNNHEJ-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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Related Compounds

3-Hydrazinyl-6-phenylpyridazine
CID 6409842
6-Phenylpyridazin-3-amine
CID 11958915
5-(3-Fluorophenyl)-1H-pyrazol-3-amine
CID 18523990
3-Amino-4,6-diphenylpyridazine
CID 11770746
3-Pyridazinamine, 4-methyl-6-phenyl-, monohydrochloride
CID 6410668
3-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 2759138
5-Methyl-6-phenylpyridazin-3-amine
CID 13735348
3-Amino-4-methyl-6-phenylpyridazine
CID 603946
3-Hydrazinyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 12726855
6-Cyclohexylpyridazin-3-amine
CID 13735314
5-(3,4-difluorophenyl)-1H-pyrazol-3-amine
CID 24693145
6-(2-Fluorophenyl)pyridazin-3-amine
CID 45787833

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine?
The IUPAC name of 6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine (CID 117106538) is 6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine is Nc1cc(Cc2cccc(F)c2)nnc1N.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine?
The InChIKey is ZCMVQRSKLNNHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c12-8-3-1-2-7(4-8)5-9-6-10(13)11(14)16-15-9/h1-4,6H,5H2,(H2,13,15)(H2,14,16).
What are the key properties of 6-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine?
6-[(3-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-[(3-fluorophenyl)methyl]pyridazine-3,4-diamine is sourced from PubChem (CID 117106538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).