2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide

C12H18N4O2 — CID 128704003

IUPAC2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide
SMILESCC1N(C(=O)Nc2ccnnc2)CCOC1(C)C
InChIInChI=1S/C12H18N4O2/c1-9-12(2,3)18-7-6-16(9)11(17)15-10-4-5-13-14-8-10/h4-5,8-9H,6-7H2,1-3H3,(H,13,15,17)
InChIKeyAHKVEQDRPSSRSG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.51
Rot. Bonds1

About 2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide

2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide (PubChem CID 128704003) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide
PubChem CID128704003
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide
SMILESCC1N(C(=O)Nc2ccnnc2)CCOC1(C)C
InChIInChI=1S/C12H18N4O2/c1-9-12(2,3)18-7-6-16(9)11(17)15-10-4-5-13-14-8-10/h4-5,8-9H,6-7H2,1-3H3,(H,13,15,17)
InChIKeyAHKVEQDRPSSRSG-UHFFFAOYSA-N
XLogP1.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide?
The IUPAC name of 2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide (CID 128704003) is 2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide.
What is the SMILES notation for 2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide?
The canonical SMILES for 2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide is CC1N(C(=O)Nc2ccnnc2)CCOC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide?
The InChIKey is AHKVEQDRPSSRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-12(2,3)18-7-6-16(9)11(17)15-10-4-5-13-14-8-10/h4-5,8-9H,6-7H2,1-3H3,(H,13,15,17).
What are the key properties of 2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide?
2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-N-pyridazin-4-ylmorpholine-4-carboxamide is sourced from PubChem (CID 128704003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).