(3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C14H21N3O2 — CID 102738607

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C14H21N3O2/c1-4-12-11(7-10(3)15-16-12)14(19)17-6-5-9(2)13(17)8-18/h7,9,13,18H,4-6,8H2,1-3H3
InChIKeyNCAFUHIJGABDQL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.19
Rot. Bonds3

About (3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

(3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102738607) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102738607
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C14H21N3O2/c1-4-12-11(7-10(3)15-16-12)14(19)17-6-5-9(2)13(17)8-18/h7,9,13,18H,4-6,8H2,1-3H3
InChIKeyNCAFUHIJGABDQL-UHFFFAOYSA-N
XLogP1.19
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102738607) is (3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CCc1nnc(C)cc1C(=O)N1CCC(C)C1CO.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is NCAFUHIJGABDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-12-11(7-10(3)15-16-12)14(19)17-6-5-9(2)13(17)8-18/h7,9,13,18H,4-6,8H2,1-3H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
(3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102738607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).