4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine

C12H13Cl2N5O — CID 3165813

IUPAC4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine
SMILESClc1ccc(-n2nnnc2CN2CCOCC2)cc1Cl
InChIInChI=1S/C12H13Cl2N5O/c13-10-2-1-9(7-11(10)14)19-12(15-16-17-19)8-18-3-5-20-6-4-18/h1-2,7H,3-6,8H2
InChIKeyDXVLZRVZWXLZEZ-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.80
Rot. Bonds3

About 4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine

4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine (PubChem CID 3165813) has the molecular formula C12H13Cl2N5O and a molecular weight of 314.18 g/mol. Its IUPAC name is 4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine
PubChem CID3165813
Molecular FormulaC12H13Cl2N5O
Molecular Weight314.18 g/mol
Exact Mass313.05
IUPAC Name4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine
SMILESClc1ccc(-n2nnnc2CN2CCOCC2)cc1Cl
InChIInChI=1S/C12H13Cl2N5O/c13-10-2-1-9(7-11(10)14)19-12(15-16-17-19)8-18-3-5-20-6-4-18/h1-2,7H,3-6,8H2
InChIKeyDXVLZRVZWXLZEZ-UHFFFAOYSA-N
XLogP1.80
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(3,4-dichlorophenyl)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-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-N-propyl-1H-1,2,3-triazol-4-amine
CID 76684475
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684477
4-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-morpholine
CID 3167929
4-[2-chloro-6-(1H-tetrazol-1-yl)phenyl]morpholine
CID 16764728
1-(3,4-dichlorophenyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
CID 2132380
1-(3-Chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine
CID 2815398
4-{[1-(3-Chlorophenyl)-1,2,3,4-tetraazol-5-yl]cyclohexyl}morpholine
CID 5009574
5-{(1E)-2-[4-(3-chlorophenyl)piperazinyl]vinyl}-1-(4-chlorophenyl)-1,2,3,4-tet raazole
CID 5714814
4-{1-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]-4-methylcyclohexyl}morpholine
CID 3786261
4-{1-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]cyclopentyl}morpholine
CID 45600031

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine (CID 3165813) is 4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine is Clc1ccc(-n2nnnc2CN2CCOCC2)cc1Cl.
What is the InChIKey of 4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine?
The InChIKey is DXVLZRVZWXLZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O/c13-10-2-1-9(7-11(10)14)19-12(15-16-17-19)8-18-3-5-20-6-4-18/h1-2,7H,3-6,8H2.
What are the key properties of 4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine?
4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine has a molecular weight of 314.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,4-dichlorophenyl)tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 3165813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).