(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

C12H20N4O — CID 129331001

IUPAC(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCC(C)=CCN1CCO[C@@H](c2nncn2C)C1
InChIInChI=1S/C12H20N4O/c1-10(2)4-5-16-6-7-17-11(8-16)12-14-13-9-15(12)3/h4,9,11H,5-8H2,1-3H3/t11-/m1/s1
InChIKeyBORKUONAQMDLRE-LLVKDONJSA-N
MW236.32 g/mol
LogP1.15
Rot. Bonds3

About (2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129331001) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129331001
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCC(C)=CCN1CCO[C@@H](c2nncn2C)C1
InChIInChI=1S/C12H20N4O/c1-10(2)4-5-16-6-7-17-11(8-16)12-14-13-9-15(12)3/h4,9,11H,5-8H2,1-3H3/t11-/m1/s1
InChIKeyBORKUONAQMDLRE-LLVKDONJSA-N
XLogP1.15
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[2-[(3R,5R)-3,5-dimethylcyclohexyl]ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129332459
(2R)-4-[(5-ethylfuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129336988
4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128996806
(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine
CID 129341152
(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342344
(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129335905
(2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129338250
4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129007338
4-[2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
CID 128997059
4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128991953
2-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 129339664
(2S)-1-(3-methylphenoxy)-3-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propan-2-ol
CID 129340153

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (CID 129331001) is (2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is CC(C)=CCN1CCO[C@@H](c2nncn2C)C1.
What is the InChIKey of (2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is BORKUONAQMDLRE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(2)4-5-16-6-7-17-11(8-16)12-14-13-9-15(12)3/h4,9,11H,5-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 236.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129331001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).