2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one

C14H18N6O3 — CID 95779711

IUPAC2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one
SMILESCCn1nc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)ccc1=O
InChIInChI=1S/C14H18N6O3/c1-3-20-12(21)5-4-10(18-20)14(22)19-6-7-23-11(8-19)13-15-9(2)16-17-13/h4-5,11H,3,6-8H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeyIRMRXQMEPQFVIA-LLVKDONJSA-N
MW318.34 g/mol
LogP-0.10
Rot. Bonds3

About 2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one

2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one (PubChem CID 95779711) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one
PubChem CID95779711
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one
SMILESCCn1nc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)ccc1=O
InChIInChI=1S/C14H18N6O3/c1-3-20-12(21)5-4-10(18-20)14(22)19-6-7-23-11(8-19)13-15-9(2)16-17-13/h4-5,11H,3,6-8H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeyIRMRXQMEPQFVIA-LLVKDONJSA-N
XLogP-0.10
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one with MolForge

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96511624
2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 97006454
(1,2-dimethylbenzimidazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96511895
6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one
CID 121066845
1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 167930673
2-(cyclopropylmethoxy)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 167785665
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 96996948
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996940
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607635
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059633
[2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 126783270
1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 127360135

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one?
The IUPAC name of 2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one (CID 95779711) is 2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one is CCn1nc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)ccc1=O.
What is the InChIKey of 2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one?
The InChIKey is IRMRXQMEPQFVIA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-3-20-12(21)5-4-10(18-20)14(22)19-6-7-23-11(8-19)13-15-9(2)16-17-13/h4-5,11H,3,6-8H2,1-2H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of 2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one?
2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one has a molecular weight of 318.34 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one is sourced from PubChem (CID 95779711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).