3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one

C13H25N5O — CID 107047232

IUPAC3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCCN(CC)C(CC)(CC)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C13H25N5O/c1-6-13(7-2,18(8-3)9-4)11(19)10-12-14-16-17(5)15-12/h6-10H2,1-5H3
InChIKeyOTHIREBGHVVAIJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.22
Rot. Bonds8

About 3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one

3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107047232) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107047232
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCCN(CC)C(CC)(CC)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C13H25N5O/c1-6-13(7-2,18(8-3)9-4)11(19)10-12-14-16-17(5)15-12/h6-10H2,1-5H3
InChIKeyOTHIREBGHVVAIJ-UHFFFAOYSA-N
XLogP1.22
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043040
3-(Dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047205
3-(Diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047207
3-Methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one
CID 107047210
3-(Dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047217
3-Methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one
CID 107047226
3-(Dimethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047230
1-[1-(Dimethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107047238
1-[1-(Diethylamino)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107047240
2-(2-Methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 107047241
2-(2-Methyltetrazol-5-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanone
CID 107047245
4-(Diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047259

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107047232) is 3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one is CCN(CC)C(CC)(CC)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is OTHIREBGHVVAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-6-13(7-2,18(8-3)9-4)11(19)10-12-14-16-17(5)15-12/h6-10H2,1-5H3.
What are the key properties of 3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 267.38 g/mol, XLogP of 1.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107047232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).