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

C12H14ClN5O — CID 3167929

IUPAC4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine
SMILESClc1ccc(-n2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C12H14ClN5O/c13-10-1-3-11(4-2-10)18-12(14-15-16-18)9-17-5-7-19-8-6-17/h1-4H,5-9H2
InChIKeyAAKSTVXHRNNNGZ-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.15
Rot. Bonds3

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

4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine (PubChem CID 3167929) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine
PubChem CID3167929
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine
SMILESClc1ccc(-n2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C12H14ClN5O/c13-10-1-3-11(4-2-10)18-12(14-15-16-18)9-17-5-7-19-8-6-17/h1-4H,5-9H2
InChIKeyAAKSTVXHRNNNGZ-UHFFFAOYSA-N
XLogP1.15
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
1-[1-(3,4-Dichloro-phenyl)-1H-tetrazol-5-ylmethyl]-piperidine
CID 3165816
1-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3167930
4-(1-phenyl-1H-tetrazol-5-yl)morpholine
CID 1281750
4-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3184571
4-[1-(3,4-Dichloro-phenyl)-1H-tetrazol-5-ylmethyl]-morpholine
CID 3165813
3-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3186686
1-[[1-(4-Chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine
CID 3184561
4-[2-chloro-6-(1H-tetrazol-1-yl)phenyl]morpholine
CID 16764728
1-(2-Methoxyethyl)-4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine
CID 53534390
1-(2-Ethoxyethyl)-4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine
CID 53590620
4-{3-[4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]propyl}morpholine
CID 56705652

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine (CID 3167929) is 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine is Clc1ccc(-n2nnnc2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
The InChIKey is AAKSTVXHRNNNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c13-10-1-3-11(4-2-10)18-12(14-15-16-18)9-17-5-7-19-8-6-17/h1-4H,5-9H2.
What are the key properties of 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine?
4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine has a molecular weight of 279.73 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 3167929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).