1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one

C9H15N5O2 — CID 107062212

IUPAC1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
SMILESCn1nnc(CC(=O)CC2CNCCO2)n1
InChIInChI=1S/C9H15N5O2/c1-14-12-9(11-13-14)5-7(15)4-8-6-10-2-3-16-8/h8,10H,2-6H2,1H3
InChIKeyIGGYTZNHEWLFFY-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.30
Rot. Bonds4

About 1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one

1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one (PubChem CID 107062212) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
PubChem CID107062212
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
SMILESCn1nnc(CC(=O)CC2CNCCO2)n1
InChIInChI=1S/C9H15N5O2/c1-14-12-9(11-13-14)5-7(15)4-8-6-10-2-3-16-8/h8,10H,2-6H2,1H3
InChIKeyIGGYTZNHEWLFFY-UHFFFAOYSA-N
XLogP-1.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063454
1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062169
2-[(2-methyltetrazol-5-yl)methoxymethyl]morpholine
CID 107044482
1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one
CID 116586283
1-morpholin-2-ylbutan-2-one
CID 116586154
1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one
CID 116586248
1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 107063286
1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
CID 116586355
1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one
CID 107061940
3-methyl-1-morpholin-2-ylbutan-2-one
CID 116586136
4-methyl-1-morpholin-2-ylpent-4-en-2-one
CID 116586358

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one (CID 107062212) is 1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one is Cn1nnc(CC(=O)CC2CNCCO2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one?
The InChIKey is IGGYTZNHEWLFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-14-12-9(11-13-14)5-7(15)4-8-6-10-2-3-16-8/h8,10H,2-6H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one?
1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one has a molecular weight of 225.25 g/mol, XLogP of -1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one is sourced from PubChem (CID 107062212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).