4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine

C21H25N5O — CID 72840539

IUPAC4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCc1ccc(Cn2nc(-c3ccncc3)nc2CN2CCOCC2)cc1
InChIInChI=1S/C21H25N5O/c1-2-17-3-5-18(6-4-17)15-26-20(16-25-11-13-27-14-12-25)23-21(24-26)19-7-9-22-10-8-19/h3-10H,2,11-16H2,1H3
InChIKeyOPQOHKIAOPDHMZ-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.78
Rot. Bonds6

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

4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 72840539) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID72840539
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCc1ccc(Cn2nc(-c3ccncc3)nc2CN2CCOCC2)cc1
InChIInChI=1S/C21H25N5O/c1-2-17-3-5-18(6-4-17)15-26-20(16-25-11-13-27-14-12-25)23-21(24-26)19-7-9-22-10-8-19/h3-10H,2,11-16H2,1H3
InChIKeyOPQOHKIAOPDHMZ-UHFFFAOYSA-N
XLogP2.78
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

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Related Compounds

4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine
CID 97438359
4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine
CID 859200
4-[[4-[5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 59504760
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
CID 961221
(3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine
CID 97452395
1-[[5-(1-methylpyrazol-4-yl)-2-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-4-pyridin-4-ylpiperazine
CID 167842431
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
CID 90174299
4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine
CID 649087
4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine
CID 71364184

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine (CID 72840539) is 4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine is CCc1ccc(Cn2nc(-c3ccncc3)nc2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is OPQOHKIAOPDHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-17-3-5-18(6-4-17)15-26-20(16-25-11-13-27-14-12-25)23-21(24-26)19-7-9-22-10-8-19/h3-10H,2,11-16H2,1H3.
What are the key properties of 4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 363.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 72840539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).