4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine

C16H22N4O — CID 56700466

IUPAC4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine
SMILESCc1cccc(-n2cnnc2CCCN2CCOCC2)c1
InChIInChI=1S/C16H22N4O/c1-14-4-2-5-15(12-14)20-13-17-18-16(20)6-3-7-19-8-10-21-11-9-19/h2,4-5,12-13H,3,6-11H2,1H3
InChIKeyFYXKRBVADSXRQW-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.84
Rot. Bonds5

About 4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine

4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine (PubChem CID 56700466) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine
PubChem CID56700466
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine
SMILESCc1cccc(-n2cnnc2CCCN2CCOCC2)c1
InChIInChI=1S/C16H22N4O/c1-14-4-2-5-15(12-14)20-13-17-18-16(20)6-3-7-19-8-10-21-11-9-19/h2,4-5,12-13H,3,6-11H2,1H3
InChIKeyFYXKRBVADSXRQW-UHFFFAOYSA-N
XLogP1.84
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine (CID 56700466) is 4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine is Cc1cccc(-n2cnnc2CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
The InChIKey is FYXKRBVADSXRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-14-4-2-5-15(12-14)20-13-17-18-16(20)6-3-7-19-8-10-21-11-9-19/h2,4-5,12-13H,3,6-11H2,1H3.
What are the key properties of 4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine has a molecular weight of 286.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-methylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine is sourced from PubChem (CID 56700466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).