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

C14H18N4O — CID 61337016

IUPAC[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
SMILESCc1nnc(N2CCOC(CN)C2)c2ccccc12
InChIInChI=1S/C14H18N4O/c1-10-12-4-2-3-5-13(12)14(17-16-10)18-6-7-19-11(8-15)9-18/h2-5,11H,6-9,15H2,1H3
InChIKeyWAGRTNRLJJVLIS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.10
Rot. Bonds2

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

[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine (PubChem CID 61337016) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
PubChem CID61337016
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
SMILESCc1nnc(N2CCOC(CN)C2)c2ccccc12
InChIInChI=1S/C14H18N4O/c1-10-12-4-2-3-5-13(12)14(17-16-10)18-6-7-19-11(8-15)9-18/h2-5,11H,6-9,15H2,1H3
InChIKeyWAGRTNRLJJVLIS-UHFFFAOYSA-N
XLogP1.10
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 81217819
1-[4-(4-methylphthalazin-1-yl)morpholin-2-yl]ethanamine
CID 115315817
4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
CID 62141546
3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 114399299
[(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine
CID 125436137
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]methanamine
CID 61338953
1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 43517082
N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine
CID 113282080
ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
CID 143698287
[4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]methanamine
CID 65209424
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
4-[2-(aminomethyl)morpholin-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 114399300

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine (CID 61337016) is [4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine is Cc1nnc(N2CCOC(CN)C2)c2ccccc12.
What is the InChIKey of [4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine?
The InChIKey is WAGRTNRLJJVLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-12-4-2-3-5-13(12)14(17-16-10)18-6-7-19-11(8-15)9-18/h2-5,11H,6-9,15H2,1H3.
What are the key properties of [4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine?
[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 61337016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).