2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone

C14H24N6O2 — CID 25448663

IUPAC2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1nnnc1CN1CCCCCC1)N1CCOCC1
InChIInChI=1S/C14H24N6O2/c21-14(19-7-9-22-10-8-19)12-20-13(15-16-17-20)11-18-5-3-1-2-4-6-18/h1-12H2
InChIKeyIBNQGEBGWHETSO-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.09
Rot. Bonds4

About 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone

2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 25448663) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID25448663
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1nnnc1CN1CCCCCC1)N1CCOCC1
InChIInChI=1S/C14H24N6O2/c21-14(19-7-9-22-10-8-19)12-20-13(15-16-17-20)11-18-5-3-1-2-4-6-18/h1-12H2
InChIKeyIBNQGEBGWHETSO-UHFFFAOYSA-N
XLogP-0.09
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone (CID 25448663) is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone is O=C(Cn1nnnc1CN1CCCCCC1)N1CCOCC1.
What is the InChIKey of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is IBNQGEBGWHETSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c21-14(19-7-9-22-10-8-19)12-20-13(15-16-17-20)11-18-5-3-1-2-4-6-18/h1-12H2.
What are the key properties of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone?
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 308.39 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 25448663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).