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

C15H19ClN4O — CID 56705652

IUPAC4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine
SMILESClc1ccc(-n2cnnc2CCCN2CCOCC2)cc1
InChIInChI=1S/C15H19ClN4O/c16-13-3-5-14(6-4-13)20-12-17-18-15(20)2-1-7-19-8-10-21-11-9-19/h3-6,12H,1-2,7-11H2
InChIKeySGKPVPIHMOMBLI-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.19
Rot. Bonds5

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

4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine (PubChem CID 56705652) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine
PubChem CID56705652
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine
SMILESClc1ccc(-n2cnnc2CCCN2CCOCC2)cc1
InChIInChI=1S/C15H19ClN4O/c16-13-3-5-14(6-4-13)20-12-17-18-15(20)2-1-7-19-8-10-21-11-9-19/h3-6,12H,1-2,7-11H2
InChIKeySGKPVPIHMOMBLI-UHFFFAOYSA-N
XLogP2.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine (CID 56705652) is 4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine is Clc1ccc(-n2cnnc2CCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
The InChIKey is SGKPVPIHMOMBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c16-13-3-5-14(6-4-13)20-12-17-18-15(20)2-1-7-19-8-10-21-11-9-19/h3-6,12H,1-2,7-11H2.
What are the key properties of 4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine has a molecular weight of 306.80 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propyl]morpholine is sourced from PubChem (CID 56705652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).