4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine

C15H22N6O — CID 136568499

IUPAC4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc(C2CN(Cc3ccnn3C3CCC3)CCO2)n[nH]1
InChIInChI=1S/C15H22N6O/c1-11-17-15(19-18-11)14-10-20(7-8-22-14)9-13-5-6-16-21(13)12-3-2-4-12/h5-6,12,14H,2-4,7-10H2,1H3,(H,17,18,19)
InChIKeySGTDEMBXTROJQN-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.61
Rot. Bonds4

About 4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine

4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 136568499) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID136568499
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc(C2CN(Cc3ccnn3C3CCC3)CCO2)n[nH]1
InChIInChI=1S/C15H22N6O/c1-11-17-15(19-18-11)14-10-20(7-8-22-14)9-13-5-6-16-21(13)12-3-2-4-12/h5-6,12,14H,2-4,7-10H2,1H3,(H,17,18,19)
InChIKeySGTDEMBXTROJQN-UHFFFAOYSA-N
XLogP1.61
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine
CID 136543263
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 96512312
(2S)-4-[(2-chloro-5-fluorophenyl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 99827008
N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 129461872
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine
CID 98772589
(2S)-4-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 95780268
2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110115567
(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 98775062
4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928045
(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 96512338
6-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 110112311
(2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 97059682

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine (CID 136568499) is 4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine is Cc1nc(C2CN(Cc3ccnn3C3CCC3)CCO2)n[nH]1.
What is the InChIKey of 4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is SGTDEMBXTROJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11-17-15(19-18-11)14-10-20(7-8-22-14)9-13-5-6-16-21(13)12-3-2-4-12/h5-6,12,14H,2-4,7-10H2,1H3,(H,17,18,19).
What are the key properties of 4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 302.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 136568499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).