6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine

C16H17FN4S — CID 134502855

IUPAC6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine
SMILESCc1nnc2sc(CNCc3cccc(F)c3)c(N)c2c1C
InChIInChI=1S/C16H17FN4S/c1-9-10(2)20-21-16-14(9)15(18)13(22-16)8-19-7-11-4-3-5-12(17)6-11/h3-6,19H,7-8,18H2,1-2H3
InChIKeyRGHVMOZOFJGUNB-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.32
Rot. Bonds4

About 6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine

6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine (PubChem CID 134502855) has the molecular formula C16H17FN4S and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine.

Molecular Properties

Compound Name6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine
PubChem CID134502855
Molecular FormulaC16H17FN4S
Molecular Weight316.40 g/mol
Exact Mass316.12
IUPAC Name6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine
SMILESCc1nnc2sc(CNCc3cccc(F)c3)c(N)c2c1C
InChIInChI=1S/C16H17FN4S/c1-9-10(2)20-21-16-14(9)15(18)13(22-16)8-19-7-11-4-3-5-12(17)6-11/h3-6,19H,7-8,18H2,1-2H3
InChIKeyRGHVMOZOFJGUNB-UHFFFAOYSA-N
XLogP3.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 64540988
5-amino-3-[2-(4-ethenyl-5,6-dimethylpyridazin-3-yl)sulfanylethyl]-N-[(3-fluorophenyl)methyl]-4-methylthieno[2,3-c]pyridazine-6-carboxamide
CID 123886378
1-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43432996
4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
CID 114479786
1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 46784765
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126964694
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43114066
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-fluorophenyl)azetidin-1-yl]methanol
CID 126496376
5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691459
2-[4-[[(3-fluorophenyl)methylamino]methyl]thiophen-3-yl]benzene-1,4-diamine
CID 23286918
N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43658821

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine?
The IUPAC name of 6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine (CID 134502855) is 6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine.
What is the SMILES notation for 6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine?
The canonical SMILES for 6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine is Cc1nnc2sc(CNCc3cccc(F)c3)c(N)c2c1C.
What is the InChIKey of 6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine?
The InChIKey is RGHVMOZOFJGUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4S/c1-9-10(2)20-21-16-14(9)15(18)13(22-16)8-19-7-11-4-3-5-12(17)6-11/h3-6,19H,7-8,18H2,1-2H3.
What are the key properties of 6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine?
6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine has a molecular weight of 316.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-fluorophenyl)methylamino]methyl]-3,4-dimethylthieno[2,3-c]pyridazin-5-amine is sourced from PubChem (CID 134502855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).