(6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C12H18N4O3 — CID 114780099

IUPAC(6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(N)nn2)CC(CO)O1
InChIInChI=1S/C12H18N4O3/c1-12(2)7-16(5-8(6-17)19-12)11(18)9-3-4-10(13)15-14-9/h3-4,8,17H,5-7H2,1-2H3,(H2,13,15)
InChIKeyBIMLXDJIMTWSSK-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.33
Rot. Bonds2

About (6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114780099) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114780099
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(N)nn2)CC(CO)O1
InChIInChI=1S/C12H18N4O3/c1-12(2)7-16(5-8(6-17)19-12)11(18)9-3-4-10(13)15-14-9/h3-4,8,17H,5-7H2,1-2H3,(H2,13,15)
InChIKeyBIMLXDJIMTWSSK-UHFFFAOYSA-N
XLogP-0.33
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(2-amino-4-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780098
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
(4-amino-3-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776793
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 114022742
(2,4-diaminophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776081
(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776070
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 114779021
(2-amino-5-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776111
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
(5-amino-2-chlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776059
(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776065

Frequently Asked Questions

What is the IUPAC name of (6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114780099) is (6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is CC1(C)CN(C(=O)c2ccc(N)nn2)CC(CO)O1.
What is the InChIKey of (6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is BIMLXDJIMTWSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2)7-16(5-8(6-17)19-12)11(18)9-3-4-10(13)15-14-9/h3-4,8,17H,5-7H2,1-2H3,(H2,13,15).
What are the key properties of (6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 266.30 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114780099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).