4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline

C12H16N6O — CID 3184571

IUPAC4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline
SMILESNc1ccc(-n2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C12H16N6O/c13-10-1-3-11(4-2-10)18-12(14-15-16-18)9-17-5-7-19-8-6-17/h1-4H,5-9,13H2
InChIKeyWABOYEUKHRBPOG-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.08
Rot. Bonds3

About 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline

4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline (PubChem CID 3184571) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline.

Molecular Properties

Compound Name4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline
PubChem CID3184571
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline
SMILESNc1ccc(-n2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C12H16N6O/c13-10-1-3-11(4-2-10)18-12(14-15-16-18)9-17-5-7-19-8-6-17/h1-4H,5-9,13H2
InChIKeyWABOYEUKHRBPOG-UHFFFAOYSA-N
XLogP0.08
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
4-(1-phenyl-1H-tetrazol-5-yl)morpholine
CID 1281750
4-[[1-(4-Nitrophenyl)tetrazol-5-yl]methyl]morpholine
CID 3165818
4-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-morpholine
CID 3167929
N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine
CID 2453962
2,6-Dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
CID 2928885
3-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3186686
1-{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 3209250
4-{(1E)-2-[1-(4-methylphenyl)(1,2,3,4-tetraazol-5-yl)]vinyl}morpholine
CID 5377876
US11845767, Example 365
CID 170795462
2-ethoxy-1-(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)ethanone
CID 30937011
1-(2-Methoxyethyl)-4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine
CID 53534390

Frequently Asked Questions

What is the IUPAC name of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline?
The IUPAC name of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline (CID 3184571) is 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline.
What is the SMILES notation for 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline?
The canonical SMILES for 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline is Nc1ccc(-n2nnnc2CN2CCOCC2)cc1.
What is the InChIKey of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline?
The InChIKey is WABOYEUKHRBPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c13-10-1-3-11(4-2-10)18-12(14-15-16-18)9-17-5-7-19-8-6-17/h1-4H,5-9,13H2.
What are the key properties of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline?
4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline has a molecular weight of 260.30 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline is sourced from PubChem (CID 3184571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).