2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide

C17H28N8O2 — CID 26384846

IUPAC2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCCN(CCn1cccn1)C(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H28N8O2/c1-4-23(8-9-24-7-5-6-18-24)17(26)13-25-16(19-20-21-25)12-22-10-14(2)27-15(3)11-22/h5-7,14-15H,4,8-13H2,1-3H3/t14-,15+
InChIKeyIKFWJSFLVMNHKB-GASCZTMLSA-N
MW376.47 g/mol
LogP0.03
Rot. Bonds8

About 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide

2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 26384846) has the molecular formula C17H28N8O2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID26384846
Molecular FormulaC17H28N8O2
Molecular Weight376.47 g/mol
Exact Mass376.23
IUPAC Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCCN(CCn1cccn1)C(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H28N8O2/c1-4-23(8-9-24-7-5-6-18-24)17(26)13-25-16(19-20-21-25)12-22-10-14(2)27-15(3)11-22/h5-7,14-15H,4,8-13H2,1-3H3/t14-,15+
InChIKeyIKFWJSFLVMNHKB-GASCZTMLSA-N
XLogP0.03
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide (CID 26384846) is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide is CCN(CCn1cccn1)C(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is IKFWJSFLVMNHKB-GASCZTMLSA-N. The full InChI is InChI=1S/C17H28N8O2/c1-4-23(8-9-24-7-5-6-18-24)17(26)13-25-16(19-20-21-25)12-22-10-14(2)27-15(3)11-22/h5-7,14-15H,4,8-13H2,1-3H3/t14-,15+.
What are the key properties of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide?
2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 376.47 g/mol, XLogP of 0.03, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 26384846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).