N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine

C13H15N3O — CID 62482630

IUPACN-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine
SMILESCOCc1ccccc1CNc1cccnn1
InChIInChI=1S/C13H15N3O/c1-17-10-12-6-3-2-5-11(12)9-14-13-7-4-8-15-16-13/h2-8H,9-10H2,1H3,(H,14,16)
InChIKeyCEIZFAXEYNWUMJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.24
Rot. Bonds5

About N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine

N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine (PubChem CID 62482630) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine
PubChem CID62482630
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine
SMILESCOCc1ccccc1CNc1cccnn1
InChIInChI=1S/C13H15N3O/c1-17-10-12-6-3-2-5-11(12)9-14-13-7-4-8-15-16-13/h2-8H,9-10H2,1H3,(H,14,16)
InChIKeyCEIZFAXEYNWUMJ-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine (CID 62482630) is N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine is COCc1ccccc1CNc1cccnn1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine?
The InChIKey is CEIZFAXEYNWUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-10-12-6-3-2-5-11(12)9-14-13-7-4-8-15-16-13/h2-8H,9-10H2,1H3,(H,14,16).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine?
N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine has a molecular weight of 229.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine is sourced from PubChem (CID 62482630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).