[1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine

C14H22N4O — CID 116973042

IUPAC[1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1ccc(C2CCOCC2)nn1
InChIInChI=1S/C14H22N4O/c15-10-12-2-1-7-18(12)14-4-3-13(16-17-14)11-5-8-19-9-6-11/h3-4,11-12H,1-2,5-10,15H2
InChIKeyABGDQSXWYJDTRA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.30
Rot. Bonds3

About [1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine

[1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine (PubChem CID 116973042) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine
PubChem CID116973042
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1ccc(C2CCOCC2)nn1
InChIInChI=1S/C14H22N4O/c15-10-12-2-1-7-18(12)14-4-3-13(16-17-14)11-5-8-19-9-6-11/h3-4,11-12H,1-2,5-10,15H2
InChIKeyABGDQSXWYJDTRA-UHFFFAOYSA-N
XLogP1.30
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine (CID 116973042) is [1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine is NCC1CCCN1c1ccc(C2CCOCC2)nn1.
What is the InChIKey of [1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine?
The InChIKey is ABGDQSXWYJDTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-10-12-2-1-7-18(12)14-4-3-13(16-17-14)11-5-8-19-9-6-11/h3-4,11-12H,1-2,5-10,15H2.
What are the key properties of [1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine?
[1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine has a molecular weight of 262.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 116973042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).