N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine

C17H14F3N3O — CID 100660094

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCOc1ccc2cc(CNc3ccc(C(F)(F)F)nn3)ccc2c1
InChIInChI=1S/C17H14F3N3O/c1-24-14-5-4-12-8-11(2-3-13(12)9-14)10-21-16-7-6-15(22-23-16)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyLMQQSCMORNOQCR-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.27
Rot. Bonds4

About N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 100660094) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID100660094
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCOc1ccc2cc(CNc3ccc(C(F)(F)F)nn3)ccc2c1
InChIInChI=1S/C17H14F3N3O/c1-24-14-5-4-12-8-11(2-3-13(12)9-14)10-21-16-7-6-15(22-23-16)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyLMQQSCMORNOQCR-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenol
CID 133418614
N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 100629105
N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 138043417
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
CID 17416767
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
CID 29054094
N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 115875571
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
CID 113041801
N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133432263
4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
CID 177043715
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 100660094) is N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine is COc1ccc2cc(CNc3ccc(C(F)(F)F)nn3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is LMQQSCMORNOQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-24-14-5-4-12-8-11(2-3-13(12)9-14)10-21-16-7-6-15(22-23-16)17(18,19)20/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 333.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 100660094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).