N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine

C14H23N3O — CID 106549907

IUPACN-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine
SMILESCCC1(CC)CC(Nc2cc(C)cnn2)CCO1
InChIInChI=1S/C14H23N3O/c1-4-14(5-2)9-12(6-7-18-14)16-13-8-11(3)10-15-17-13/h8,10,12H,4-7,9H2,1-3H3,(H,16,17)
InChIKeyGJLFFZXRNKYXRW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.93
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine

N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine (PubChem CID 106549907) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine
PubChem CID106549907
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine
SMILESCCC1(CC)CC(Nc2cc(C)cnn2)CCO1
InChIInChI=1S/C14H23N3O/c1-4-14(5-2)9-12(6-7-18-14)16-13-8-11(3)10-15-17-13/h8,10,12H,4-7,9H2,1-3H3,(H,16,17)
InChIKeyGJLFFZXRNKYXRW-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine (CID 106549907) is N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine is CCC1(CC)CC(Nc2cc(C)cnn2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine?
The InChIKey is GJLFFZXRNKYXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-14(5-2)9-12(6-7-18-14)16-13-8-11(3)10-15-17-13/h8,10,12H,4-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine?
N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine has a molecular weight of 249.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-5-methylpyridazin-3-amine is sourced from PubChem (CID 106549907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).