1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone

C8H13N5O2 — CID 94095786

IUPAC1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
SMILESC[C@@H]1COCCN1C(=O)Cn1cnnn1
InChIInChI=1S/C8H13N5O2/c1-7-5-15-3-2-13(7)8(14)4-12-6-9-10-11-12/h6-7H,2-5H2,1H3/t7-/m1/s1
InChIKeyKGXNTWQKFZDTNY-SSDOTTSWSA-N
MW211.22 g/mol
LogP-1.08
Rot. Bonds2

About 1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone

1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 94095786) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID94095786
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
SMILESC[C@@H]1COCCN1C(=O)Cn1cnnn1
InChIInChI=1S/C8H13N5O2/c1-7-5-15-3-2-13(7)8(14)4-12-6-9-10-11-12/h6-7H,2-5H2,1H3/t7-/m1/s1
InChIKeyKGXNTWQKFZDTNY-SSDOTTSWSA-N
XLogP-1.08
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid
CID 95714732
2-(3-aminopyrazol-1-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 94355301
1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 97026542
3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one
CID 47415570
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
methyl 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 43410266
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94095579
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
4-[methyl-[2-(tetrazol-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 66236144
3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one
CID 130179951

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone (CID 94095786) is 1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone is C[C@@H]1COCCN1C(=O)Cn1cnnn1.
What is the InChIKey of 1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is KGXNTWQKFZDTNY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-7-5-15-3-2-13(7)8(14)4-12-6-9-10-11-12/h6-7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 211.22 g/mol, XLogP of -1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 94095786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).