7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one

C11H21N5O — CID 107062075

IUPAC7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one
SMILESCC(N)CCCC(C)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H21N5O/c1-8(5-4-6-9(2)12)10(17)7-11-13-15-16(3)14-11/h8-9H,4-7,12H2,1-3H3
InChIKeyZWWZMLYAQLULIT-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.48
Rot. Bonds7

About 7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one

7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one (PubChem CID 107062075) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one.

Molecular Properties

Compound Name7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one
PubChem CID107062075
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one
SMILESCC(N)CCCC(C)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H21N5O/c1-8(5-4-6-9(2)12)10(17)7-11-13-15-16(3)14-11/h8-9H,4-7,12H2,1-3H3
InChIKeyZWWZMLYAQLULIT-UHFFFAOYSA-N
XLogP0.48
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-Methyltetrazol-5-yl)methyl]cycloheptan-1-one
CID 107044521
1-Cyclohexyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046887
1-(3-Methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046958
1-(4-Methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046960
1-(4-Ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047144
1-Cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047149
1-(3-Ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047157
1-(3-Methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047161
1-(3-Ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047164
1-Cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047347
3-[(2-Methyltetrazol-5-yl)methyl]cycloheptan-1-one
CID 107054810
3-Amino-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061744

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one?
The IUPAC name of 7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one (CID 107062075) is 7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one.
What is the SMILES notation for 7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one?
The canonical SMILES for 7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one is CC(N)CCCC(C)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one?
The InChIKey is ZWWZMLYAQLULIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8(5-4-6-9(2)12)10(17)7-11-13-15-16(3)14-11/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one?
7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one has a molecular weight of 239.32 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one is sourced from PubChem (CID 107062075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).