2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone

C8H13N5O2 — CID 107062100

IUPAC2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone
SMILESCn1nnc(CC(=O)C2COCCN2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-8(10-12-13)4-7(14)6-5-15-3-2-9-6/h6,9H,2-5H2,1H3
InChIKeySWHKDKYOUJNSSA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.69
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone

2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone (PubChem CID 107062100) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone
PubChem CID107062100
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone
SMILESCn1nnc(CC(=O)C2COCCN2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-8(10-12-13)4-7(14)6-5-15-3-2-9-6/h6,9H,2-5H2,1H3
InChIKeySWHKDKYOUJNSSA-UHFFFAOYSA-N
XLogP-1.69
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-morpholin-3-ylpropan-1-one
CID 54487560
1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907
1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047149
1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063428
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone
CID 116576301
2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
CID 116576172
3-(1-methylimidazol-2-yl)-1-morpholin-3-ylpropan-1-one
CID 114533270
1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
CID 107062212
trimethylsilylmethyl (3R)-morpholine-3-carboxylate
CID 124636413
ethyl (3R)-morpholine-3-carboxylate
CID 46839508
1-(1,1-dioxothian-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063202
1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047615

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone (CID 107062100) is 2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone is Cn1nnc(CC(=O)C2COCCN2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone?
The InChIKey is SWHKDKYOUJNSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-13-11-8(10-12-13)4-7(14)6-5-15-3-2-9-6/h6,9H,2-5H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone?
2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone has a molecular weight of 211.22 g/mol, XLogP of -1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone is sourced from PubChem (CID 107062100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).