2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine

C13H17N5O — CID 2928885

IUPAC2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
SMILESCC1CN(c2nnnn2-c2ccccc2)CC(C)O1
InChIInChI=1S/C13H17N5O/c1-10-8-17(9-11(2)19-10)13-14-15-16-18(13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyWFWCVRYBUMNICH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.28
Rot. Bonds2

About 2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine

2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine (PubChem CID 2928885) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
PubChem CID2928885
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
SMILESCC1CN(c2nnnn2-c2ccccc2)CC(C)O1
InChIInChI=1S/C13H17N5O/c1-10-8-17(9-11(2)19-10)13-14-15-16-18(13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyWFWCVRYBUMNICH-UHFFFAOYSA-N
XLogP1.28
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
1-Phenyl-5-propoxy-1H-tetrazole
CID 3150887
1-phenyl-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
CID 710950
5-isopropoxy-1-phenyl-1H-tetrazole
CID 1263322
4-(1-phenyl-1H-tetrazol-5-yl)morpholine
CID 1281750
1-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 2549799
4-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3184571
ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate
CID 1253040
N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine
CID 2453962
3-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3186686
5-ethoxy-1-phenyl-1H-tetrazole
CID 280986
4-{(1E)-2-[1-(4-methylphenyl)(1,2,3,4-tetraazol-5-yl)]vinyl}morpholine
CID 5377876

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine (CID 2928885) is 2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine is CC1CN(c2nnnn2-c2ccccc2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine?
The InChIKey is WFWCVRYBUMNICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-8-17(9-11(2)19-10)13-14-15-16-18(13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine?
2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine has a molecular weight of 259.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine is sourced from PubChem (CID 2928885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).