4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine

C16H20N4O — CID 170311913

IUPAC4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine
SMILESCn1nc(C=CCc2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C16H20N4O/c1-19-16(20-10-12-21-13-11-20)17-15(18-19)9-5-8-14-6-3-2-4-7-14/h2-7,9H,8,10-13H2,1H3
InChIKeyDMNUPHZLAZMQJS-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.91
Rot. Bonds4

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

4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 170311913) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine
PubChem CID170311913
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine
SMILESCn1nc(C=CCc2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C16H20N4O/c1-19-16(20-10-12-21-13-11-20)17-15(18-19)9-5-8-14-6-3-2-4-7-14/h2-7,9H,8,10-13H2,1H3
InChIKeyDMNUPHZLAZMQJS-UHFFFAOYSA-N
XLogP1.91
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine
CID 169260016
4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 51000286
7-benzyl-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CID 979191
1,7-dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione
CID 1307880
4-[5-(2-chloro-4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 121498404
4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine
CID 72897554
4-(4-benzylphenyl)morpholine
CID 11514364
4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 121499119
1-benzyl-3-methyl-8-morpholin-4-yl-7-propan-2-ylpurine-2,6-dione
CID 30842870
(Z)-N-morpholin-4-yl-2-phenylethanimine
CID 137320841
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 155914199

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine (CID 170311913) is 4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine is Cn1nc(C=CCc2ccccc2)nc1N1CCOCC1.
What is the InChIKey of 4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is DMNUPHZLAZMQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-16(20-10-12-21-13-11-20)17-15(18-19)9-5-8-14-6-3-2-4-7-14/h2-7,9H,8,10-13H2,1H3.
What are the key properties of 4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine?
4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 284.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 170311913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).