3-(1-tert-butyltetrazol-5-yl)morpholine

C9H17N5O — CID 134968624

IUPAC3-(1-tert-butyltetrazol-5-yl)morpholine
SMILESCC(C)(C)n1nnnc1C1COCCN1
InChIInChI=1S/C9H17N5O/c1-9(2,3)14-8(11-12-13-14)7-6-15-5-4-10-7/h7,10H,4-6H2,1-3H3
InChIKeyOUQWMBZAONTRQM-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.09
Rot. Bonds1

About 3-(1-tert-butyltetrazol-5-yl)morpholine

3-(1-tert-butyltetrazol-5-yl)morpholine (PubChem CID 134968624) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-(1-tert-butyltetrazol-5-yl)morpholine.

Molecular Properties

Compound Name3-(1-tert-butyltetrazol-5-yl)morpholine
PubChem CID134968624
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-(1-tert-butyltetrazol-5-yl)morpholine
SMILESCC(C)(C)n1nnnc1C1COCCN1
InChIInChI=1S/C9H17N5O/c1-9(2,3)14-8(11-12-13-14)7-6-15-5-4-10-7/h7,10H,4-6H2,1-3H3
InChIKeyOUQWMBZAONTRQM-UHFFFAOYSA-N
XLogP0.09
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyltetrazol-5-yl)morpholine?
The IUPAC name of 3-(1-tert-butyltetrazol-5-yl)morpholine (CID 134968624) is 3-(1-tert-butyltetrazol-5-yl)morpholine.
What is the SMILES notation for 3-(1-tert-butyltetrazol-5-yl)morpholine?
The canonical SMILES for 3-(1-tert-butyltetrazol-5-yl)morpholine is CC(C)(C)n1nnnc1C1COCCN1.
What is the InChIKey of 3-(1-tert-butyltetrazol-5-yl)morpholine?
The InChIKey is OUQWMBZAONTRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-9(2,3)14-8(11-12-13-14)7-6-15-5-4-10-7/h7,10H,4-6H2,1-3H3.
What are the key properties of 3-(1-tert-butyltetrazol-5-yl)morpholine?
3-(1-tert-butyltetrazol-5-yl)morpholine has a molecular weight of 211.27 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyltetrazol-5-yl)morpholine is sourced from PubChem (CID 134968624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).