5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one

C9H16N4O2 — CID 107063425

IUPAC5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCOCC(C)CC(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H16N4O2/c1-7(6-15-3)4-8(14)5-9-10-12-13(2)11-9/h7H,4-6H2,1-3H3
InChIKeyITZKGOFCDIENNH-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.01
Rot. Bonds6

About 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one

5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107063425) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107063425
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCOCC(C)CC(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H16N4O2/c1-7(6-15-3)4-8(14)5-9-10-12-13(2)11-9/h7H,4-6H2,1-3H3
InChIKeyITZKGOFCDIENNH-UHFFFAOYSA-N
XLogP-0.01
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Ethyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 105743941
3-[(2-Methyltetrazol-5-yl)methyl]oxan-4-one
CID 107044558
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
3-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047052
5-Methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047096
2-(2-Methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanone
CID 107047127
2-(2-Methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone
CID 107047130
1-(2-Methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 107047444
3-Methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047489
3-Ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047491
3-Methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047498
3-Ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047509

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107063425) is 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one is COCC(C)CC(=O)Cc1nnn(C)n1.
What is the InChIKey of 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is ITZKGOFCDIENNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7(6-15-3)4-8(14)5-9-10-12-13(2)11-9/h7H,4-6H2,1-3H3.
What are the key properties of 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 212.25 g/mol, XLogP of -0.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107063425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).