(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine

C17H17N3O — CID 61097627

IUPAC(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine
SMILESCc1nnc(Oc2ccc3ccccc3c2)c(CN)c1C
InChIInChI=1S/C17H17N3O/c1-11-12(2)19-20-17(16(11)10-18)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10,18H2,1-2H3
InChIKeyJRJHVWKQMOQNBY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.50
Rot. Bonds3

About (5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine

(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine (PubChem CID 61097627) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine
PubChem CID61097627
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine
SMILESCc1nnc(Oc2ccc3ccccc3c2)c(CN)c1C
InChIInChI=1S/C17H17N3O/c1-11-12(2)19-20-17(16(11)10-18)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10,18H2,1-2H3
InChIKeyJRJHVWKQMOQNBY-UHFFFAOYSA-N
XLogP3.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097021
[3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096822
[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
CID 61096219
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
[3-(2-ethoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096422
[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine
CID 61098225
(5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine
CID 61096036
[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096824
2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide
CID 61095824
[3-[(4-methoxyphenyl)methoxy]-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096426
[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61098837
[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097824

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine?
The IUPAC name of (5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine (CID 61097627) is (5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine.
What is the SMILES notation for (5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine?
The canonical SMILES for (5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine is Cc1nnc(Oc2ccc3ccccc3c2)c(CN)c1C.
What is the InChIKey of (5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine?
The InChIKey is JRJHVWKQMOQNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-12(2)19-20-17(16(11)10-18)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10,18H2,1-2H3.
What are the key properties of (5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine?
(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine has a molecular weight of 279.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine is sourced from PubChem (CID 61097627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).