4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine

C15H22N6O — CID 3229138

IUPAC4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine
SMILESCC(C)(C)n1nnnc1C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C15H22N6O/c1-15(2,3)21-14(17-18-19-21)13(12-5-4-6-16-11-12)20-7-9-22-10-8-20/h4-6,11,13H,7-10H2,1-3H3
InChIKeyMJHZYNYCTPNEQE-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.24
Rot. Bonds3

About 4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine

4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine (PubChem CID 3229138) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine
PubChem CID3229138
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine
SMILESCC(C)(C)n1nnnc1C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C15H22N6O/c1-15(2,3)21-14(17-18-19-21)13(12-5-4-6-16-11-12)20-7-9-22-10-8-20/h4-6,11,13H,7-10H2,1-3H3
InChIKeyMJHZYNYCTPNEQE-UHFFFAOYSA-N
XLogP1.24
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine?
The IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine (CID 3229138) is 4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine.
What is the SMILES notation for 4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine?
The canonical SMILES for 4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine is CC(C)(C)n1nnnc1C(c1cccnc1)N1CCOCC1.
What is the InChIKey of 4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine?
The InChIKey is MJHZYNYCTPNEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-15(2,3)21-14(17-18-19-21)13(12-5-4-6-16-11-12)20-7-9-22-10-8-20/h4-6,11,13H,7-10H2,1-3H3.
What are the key properties of 4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine?
4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine has a molecular weight of 302.38 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]morpholine is sourced from PubChem (CID 3229138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).