4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine

C13H15ClN4O — CID 12636771

IUPAC4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine
SMILESC=C1N=NN(c2ccc(Cl)cc2)C1N1CCOCC1
InChIInChI=1S/C13H15ClN4O/c1-10-13(17-6-8-19-9-7-17)18(16-15-10)12-4-2-11(14)3-5-12/h2-5,13H,1,6-9H2
InChIKeyLQCNFZYTKFHBNF-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.70
Rot. Bonds2

About 4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine

4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine (PubChem CID 12636771) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine
PubChem CID12636771
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine
SMILESC=C1N=NN(c2ccc(Cl)cc2)C1N1CCOCC1
InChIInChI=1S/C13H15ClN4O/c1-10-13(17-6-8-19-9-7-17)18(16-15-10)12-4-2-11(14)3-5-12/h2-5,13H,1,6-9H2
InChIKeyLQCNFZYTKFHBNF-UHFFFAOYSA-N
XLogP2.70
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine (CID 12636771) is 4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine is C=C1N=NN(c2ccc(Cl)cc2)C1N1CCOCC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine?
The InChIKey is LQCNFZYTKFHBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-10-13(17-6-8-19-9-7-17)18(16-15-10)12-4-2-11(14)3-5-12/h2-5,13H,1,6-9H2.
What are the key properties of 4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine?
4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine has a molecular weight of 278.74 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine is sourced from PubChem (CID 12636771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).