[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine

C12H22N4O — CID 114393446

IUPAC[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
SMILESCc1nn(C)c(C)c1CN1CCOC(CN)C1
InChIInChI=1S/C12H22N4O/c1-9-12(10(2)15(3)14-9)8-16-4-5-17-11(6-13)7-16/h11H,4-8,13H2,1-3H3
InChIKeyMKGVFSLVXLCHAK-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.20
Rot. Bonds3

About [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine

[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 114393446) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
PubChem CID114393446
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
SMILESCc1nn(C)c(C)c1CN1CCOC(CN)C1
InChIInChI=1S/C12H22N4O/c1-9-12(10(2)15(3)14-9)8-16-4-5-17-11(6-13)7-16/h11H,4-8,13H2,1-3H3
InChIKeyMKGVFSLVXLCHAK-UHFFFAOYSA-N
XLogP0.20
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine
CID 129338754
[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393371
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine
CID 81209692
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 19623264
1-(4-ethylmorpholin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78946770
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 120844424
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1,4-oxazepane
CID 114217691
(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95287197
4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 103575106

Frequently Asked Questions

What is the IUPAC name of [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine (CID 114393446) is [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine is Cc1nn(C)c(C)c1CN1CCOC(CN)C1.
What is the InChIKey of [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is MKGVFSLVXLCHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-12(10(2)15(3)14-9)8-16-4-5-17-11(6-13)7-16/h11H,4-8,13H2,1-3H3.
What are the key properties of [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine?
[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114393446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).