N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide

C12H15F3N4O2 — CID 146553971

IUPACN-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide
SMILESCc1cc(CNC=O)nnc1N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c1-8-4-9(5-16-7-20)17-18-11(8)19-2-3-21-10(6-19)12(13,14)15/h4,7,10H,2-3,5-6H2,1H3,(H,16,20)
InChIKeyDUBPJHVQMZQPQZ-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.80
Rot. Bonds4

About N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide

N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide (PubChem CID 146553971) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide
PubChem CID146553971
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide
SMILESCc1cc(CNC=O)nnc1N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c1-8-4-9(5-16-7-20)17-18-11(8)19-2-3-21-10(6-19)12(13,14)15/h4,7,10H,2-3,5-6H2,1H3,(H,16,20)
InChIKeyDUBPJHVQMZQPQZ-UHFFFAOYSA-N
XLogP0.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide?
The IUPAC name of N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide (CID 146553971) is N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide.
What is the SMILES notation for N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide?
The canonical SMILES for N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide is Cc1cc(CNC=O)nnc1N1CCOC(C(F)(F)F)C1.
What is the InChIKey of N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide?
The InChIKey is DUBPJHVQMZQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-8-4-9(5-16-7-20)17-18-11(8)19-2-3-21-10(6-19)12(13,14)15/h4,7,10H,2-3,5-6H2,1H3,(H,16,20).
What are the key properties of N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide?
N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide has a molecular weight of 304.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyridazin-3-yl]methyl]formamide is sourced from PubChem (CID 146553971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).