N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine

C16H21FN4 — CID 62294083

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
SMILESCC(C)NCc1ccc(N(C)Cc2ccccc2F)nn1
InChIInChI=1S/C16H21FN4/c1-12(2)18-10-14-8-9-16(20-19-14)21(3)11-13-6-4-5-7-15(13)17/h4-9,12,18H,10-11H2,1-3H3
InChIKeyBYQPXPIREHFTNL-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.75
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine

N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine (PubChem CID 62294083) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
PubChem CID62294083
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
SMILESCC(C)NCc1ccc(N(C)Cc2ccccc2F)nn1
InChIInChI=1S/C16H21FN4/c1-12(2)18-10-14-8-9-16(20-19-14)21(3)11-13-6-4-5-7-15(13)17/h4-9,12,18H,10-11H2,1-3H3
InChIKeyBYQPXPIREHFTNL-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55059729
N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine
CID 55226791
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 55059071
N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62289250
N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62295895
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55072069
N-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 55054723
5-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 133424088
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine
CID 61417484
6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
CID 61412034
N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62294147
N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62283943

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine (CID 62294083) is N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine is CC(C)NCc1ccc(N(C)Cc2ccccc2F)nn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The InChIKey is BYQPXPIREHFTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-12(2)18-10-14-8-9-16(20-19-14)21(3)11-13-6-4-5-7-15(13)17/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine has a molecular weight of 288.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine is sourced from PubChem (CID 62294083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).