N-(2-methoxyethyl)-5-methylpyridazin-3-amine

C8H13N3O — CID 106549430

IUPACN-(2-methoxyethyl)-5-methylpyridazin-3-amine
SMILESCOCCNc1cc(C)cnn1
InChIInChI=1S/C8H13N3O/c1-7-5-8(11-10-6-7)9-3-4-12-2/h5-6H,3-4H2,1-2H3,(H,9,11)
InChIKeyLTOJGQYYRFWLHV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.84
Rot. Bonds4

About N-(2-methoxyethyl)-5-methylpyridazin-3-amine

N-(2-methoxyethyl)-5-methylpyridazin-3-amine (PubChem CID 106549430) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methylpyridazin-3-amine
PubChem CID106549430
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(2-methoxyethyl)-5-methylpyridazin-3-amine
SMILESCOCCNc1cc(C)cnn1
InChIInChI=1S/C8H13N3O/c1-7-5-8(11-10-6-7)9-3-4-12-2/h5-6H,3-4H2,1-2H3,(H,9,11)
InChIKeyLTOJGQYYRFWLHV-UHFFFAOYSA-N
XLogP0.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methylpyridazin-3-amine?
The IUPAC name of N-(2-methoxyethyl)-5-methylpyridazin-3-amine (CID 106549430) is N-(2-methoxyethyl)-5-methylpyridazin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-methylpyridazin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-methylpyridazin-3-amine is COCCNc1cc(C)cnn1.
What is the InChIKey of N-(2-methoxyethyl)-5-methylpyridazin-3-amine?
The InChIKey is LTOJGQYYRFWLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7-5-8(11-10-6-7)9-3-4-12-2/h5-6H,3-4H2,1-2H3,(H,9,11).
What are the key properties of N-(2-methoxyethyl)-5-methylpyridazin-3-amine?
N-(2-methoxyethyl)-5-methylpyridazin-3-amine has a molecular weight of 167.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methylpyridazin-3-amine is sourced from PubChem (CID 106549430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).