4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine

C17H24ClN5O — CID 3193645

IUPAC4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine
SMILESCCC(C)(C)n1nnnc1C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C17H24ClN5O/c1-4-17(2,3)23-16(19-20-21-23)15(22-9-11-24-12-10-22)13-5-7-14(18)8-6-13/h5-8,15H,4,9-12H2,1-3H3
InChIKeyRTMLPGHZHRSZHP-UHFFFAOYSA-N
MW349.87 g/mol
LogP2.89
Rot. Bonds5

About 4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine

4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine (PubChem CID 3193645) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine
PubChem CID3193645
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine
SMILESCCC(C)(C)n1nnnc1C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C17H24ClN5O/c1-4-17(2,3)23-16(19-20-21-23)15(22-9-11-24-12-10-22)13-5-7-14(18)8-6-13/h5-8,15H,4,9-12H2,1-3H3
InChIKeyRTMLPGHZHRSZHP-UHFFFAOYSA-N
XLogP2.89
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine (CID 3193645) is 4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine is CCC(C)(C)n1nnnc1C(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine?
The InChIKey is RTMLPGHZHRSZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-4-17(2,3)23-16(19-20-21-23)15(22-9-11-24-12-10-22)13-5-7-14(18)8-6-13/h5-8,15H,4,9-12H2,1-3H3.
What are the key properties of 4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine?
4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine has a molecular weight of 349.87 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 3193645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).