[5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine

C15H20N4O — CID 81217819

IUPAC[5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
SMILESCc1nnc(N2CC(CN)OCC2C)c2ccccc12
InChIInChI=1S/C15H20N4O/c1-10-9-20-12(7-16)8-19(10)15-14-6-4-3-5-13(14)11(2)17-18-15/h3-6,10,12H,7-9,16H2,1-2H3
InChIKeyVLNMOVIGZYEEEE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.49
Rot. Bonds2

About [5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine

[5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine (PubChem CID 81217819) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
PubChem CID81217819
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
SMILESCc1nnc(N2CC(CN)OCC2C)c2ccccc12
InChIInChI=1S/C15H20N4O/c1-10-9-20-12(7-16)8-19(10)15-14-6-4-3-5-13(14)11(2)17-18-15/h3-6,10,12H,7-9,16H2,1-2H3
InChIKeyVLNMOVIGZYEEEE-UHFFFAOYSA-N
XLogP1.49
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine (CID 81217819) is [5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine is Cc1nnc(N2CC(CN)OCC2C)c2ccccc12.
What is the InChIKey of [5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine?
The InChIKey is VLNMOVIGZYEEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-9-20-12(7-16)8-19(10)15-14-6-4-3-5-13(14)11(2)17-18-15/h3-6,10,12H,7-9,16H2,1-2H3.
What are the key properties of [5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine?
[5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 81217819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).