(2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

C15H22N6O — CID 164636876

IUPAC(2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCn1nc(C2CC2)nc1CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C15H22N6O/c1-19-14(17-15(18-19)12-3-4-12)11-20-7-8-22-13(9-20)10-21-6-2-5-16-21/h2,5-6,12-13H,3-4,7-11H2,1H3/t13-/m1/s1
InChIKeyUKPMJFDKEUAGFV-CYBMUJFWSA-N
MW302.38 g/mol
LogP0.79
Rot. Bonds5

About (2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

(2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 164636876) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID164636876
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCn1nc(C2CC2)nc1CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C15H22N6O/c1-19-14(17-15(18-19)12-3-4-12)11-20-7-8-22-13(9-20)10-21-6-2-5-16-21/h2,5-6,12-13H,3-4,7-11H2,1H3/t13-/m1/s1
InChIKeyUKPMJFDKEUAGFV-CYBMUJFWSA-N
XLogP0.79
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine with MolForge

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Related Compounds

(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95287197
(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289927
(2R)-4-[(5-methylpyrazin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279141
1,3-dimethyl-6-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 95279155
(2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95283780
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 127418050
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289806
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498
N-ethyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95279235

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 164636876) is (2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is Cn1nc(C2CC2)nc1CN1CCO[C@@H](Cn2cccn2)C1.
What is the InChIKey of (2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is UKPMJFDKEUAGFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N6O/c1-19-14(17-15(18-19)12-3-4-12)11-20-7-8-22-13(9-20)10-21-6-2-5-16-21/h2,5-6,12-13H,3-4,7-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 302.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 164636876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).