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

C7H12N4O — CID 94552518

IUPAC(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1cnnc1[C@H]1CNCCO1
InChIInChI=1S/C7H12N4O/c1-11-5-9-10-7(11)6-4-8-2-3-12-6/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeyGFRCNEYVJKBKLH-ZCFIWIBFSA-N
MW168.20 g/mol
LogP-0.52
Rot. Bonds1

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

(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 94552518) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is (2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID94552518
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1cnnc1[C@H]1CNCCO1
InChIInChI=1S/C7H12N4O/c1-11-5-9-10-7(11)6-4-8-2-3-12-6/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeyGFRCNEYVJKBKLH-ZCFIWIBFSA-N
XLogP-0.52
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
2-(1,4-dimethylpyrazol-3-yl)morpholine
CID 131585478
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 64533262
2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 62720908
2-(1,5-dimethylpyrazol-3-yl)morpholine
CID 82601049
4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrate;dihydrochloride
CID 75531205
2-(1,3,4-oxadiazol-2-yl)morpholine
CID 105430222
ethane;2-(1-methylpyrazol-4-yl)morpholine
CID 177151428
2-(1-methylpyrrol-3-yl)morpholine
CID 82280335
(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129331001
4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole
CID 97301297

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (CID 94552518) is (2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is Cn1cnnc1[C@H]1CNCCO1.
What is the InChIKey of (2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is GFRCNEYVJKBKLH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11-5-9-10-7(11)6-4-8-2-3-12-6/h5-6,8H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 168.20 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 94552518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).