4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

C12H18N6O — CID 75369872

IUPAC4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCn1ccnc1CN1CCOC(Cn2cncn2)C1
InChIInChI=1S/C12H18N6O/c1-16-3-2-14-12(16)8-17-4-5-19-11(6-17)7-18-10-13-9-15-18/h2-3,9-11H,4-8H2,1H3
InChIKeyCCOSSHLLOHDGLI-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.09
Rot. Bonds4

About 4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 75369872) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID75369872
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCn1ccnc1CN1CCOC(Cn2cncn2)C1
InChIInChI=1S/C12H18N6O/c1-16-3-2-14-12(16)8-17-4-5-19-11(6-17)7-18-10-13-9-15-18/h2-3,9-11H,4-8H2,1H3
InChIKeyCCOSSHLLOHDGLI-UHFFFAOYSA-N
XLogP-0.09
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 71878566
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 127720585
4-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 154748031
(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95346647
(2S)-4-(3-methylbut-2-enyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978876
(2R)-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350905
(2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 96500484
(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 42511055
(2S)-4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978882
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 56802768
(2R)-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350971

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 75369872) is 4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is Cn1ccnc1CN1CCOC(Cn2cncn2)C1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is CCOSSHLLOHDGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-16-3-2-14-12(16)8-17-4-5-19-11(6-17)7-18-10-13-9-15-18/h2-3,9-11H,4-8H2,1H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 262.32 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 75369872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).