2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine

C12H14BrN5O — CID 81211012

IUPAC2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine
SMILESBrCC1CN(c2nnnn2-c2ccccc2)CCO1
InChIInChI=1S/C12H14BrN5O/c13-8-11-9-17(6-7-19-11)12-14-15-16-18(12)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyLPCYKPYJAKJLFV-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.26
Rot. Bonds3

About 2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine

2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine (PubChem CID 81211012) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine
PubChem CID81211012
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine
SMILESBrCC1CN(c2nnnn2-c2ccccc2)CCO1
InChIInChI=1S/C12H14BrN5O/c13-8-11-9-17(6-7-19-11)12-14-15-16-18(12)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyLPCYKPYJAKJLFV-UHFFFAOYSA-N
XLogP1.26
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine
CID 133363497
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 124744190
4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449904
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 133281997
2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine
CID 133354117
[4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol
CID 56752872
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 114802333
6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
CID 114780826
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine (CID 81211012) is 2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine is BrCC1CN(c2nnnn2-c2ccccc2)CCO1.
What is the InChIKey of 2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine?
The InChIKey is LPCYKPYJAKJLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c13-8-11-9-17(6-7-19-11)12-14-15-16-18(12)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine?
2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine has a molecular weight of 324.18 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine is sourced from PubChem (CID 81211012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).