3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline

C12H16N6O — CID 3186686

IUPAC3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline
SMILESNc1cccc(-n2nnnc2CN2CCOCC2)c1
InChIInChI=1S/C12H16N6O/c13-10-2-1-3-11(8-10)18-12(14-15-16-18)9-17-4-6-19-7-5-17/h1-3,8H,4-7,9,13H2
InChIKeyUCUZEADKEJRQDA-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.08
Rot. Bonds3

About 3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline

3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline (PubChem CID 3186686) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline.

Molecular Properties

Compound Name3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline
PubChem CID3186686
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline
SMILESNc1cccc(-n2nnnc2CN2CCOCC2)c1
InChIInChI=1S/C12H16N6O/c13-10-2-1-3-11(8-10)18-12(14-15-16-18)9-17-4-6-19-7-5-17/h1-3,8H,4-7,9,13H2
InChIKeyUCUZEADKEJRQDA-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': '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-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3184571
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
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline?
The IUPAC name of 3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline (CID 3186686) is 3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline.
What is the SMILES notation for 3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline?
The canonical SMILES for 3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline is Nc1cccc(-n2nnnc2CN2CCOCC2)c1.
What is the InChIKey of 3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline?
The InChIKey is UCUZEADKEJRQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c13-10-2-1-3-11(8-10)18-12(14-15-16-18)9-17-4-6-19-7-5-17/h1-3,8H,4-7,9,13H2.
What are the key properties of 3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline?
3-[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 3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]aniline is sourced from PubChem (CID 3186686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).