3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one

C13H15N5O3 — CID 110105365

IUPAC3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one
SMILESCc1cnc(C2COCCN2C(=O)c2ccc(=O)[nH]n2)[nH]1
InChIInChI=1S/C13H15N5O3/c1-8-6-14-12(15-8)10-7-21-5-4-18(10)13(20)9-2-3-11(19)17-16-9/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)(H,17,19)
InChIKeyITTMUYKVVGMSMC-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.02
Rot. Bonds2

About 3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one

3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one (PubChem CID 110105365) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one
PubChem CID110105365
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one
SMILESCc1cnc(C2COCCN2C(=O)c2ccc(=O)[nH]n2)[nH]1
InChIInChI=1S/C13H15N5O3/c1-8-6-14-12(15-8)10-7-21-5-4-18(10)13(20)9-2-3-11(19)17-16-9/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)(H,17,19)
InChIKeyITTMUYKVVGMSMC-UHFFFAOYSA-N
XLogP0.02
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 64177721
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CID 65678102
CID 65678102
CID 65691613
CID 65691613
CID 65691994
CID 65691994
CID 65692817
CID 65692817
CID 110103938
CID 110103938
CID 110104628
CID 110104628
CID 110105048
CID 110105048
CID 110105136
CID 110105136

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one (CID 110105365) is 3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one is Cc1cnc(C2COCCN2C(=O)c2ccc(=O)[nH]n2)[nH]1.
What is the InChIKey of 3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
The InChIKey is ITTMUYKVVGMSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-6-14-12(15-8)10-7-21-5-4-18(10)13(20)9-2-3-11(19)17-16-9/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)(H,17,19).
What are the key properties of 3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one has a molecular weight of 289.29 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110105365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).