1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one

C10H16N4O2 — CID 107063602

IUPAC1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCOC1(CC(=O)Cc2nnn(C)n2)CCC1
InChIInChI=1S/C10H16N4O2/c1-14-12-9(11-13-14)6-8(15)7-10(16-2)4-3-5-10/h3-7H2,1-2H3
InChIKeyUKBYMXXJIZSKBI-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.28
Rot. Bonds5

About 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one

1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107063602) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107063602
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCOC1(CC(=O)Cc2nnn(C)n2)CCC1
InChIInChI=1S/C10H16N4O2/c1-14-12-9(11-13-14)6-8(15)7-10(16-2)4-3-5-10/h3-7H2,1-2H3
InChIKeyUKBYMXXJIZSKBI-UHFFFAOYSA-N
XLogP0.28
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107065522
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107065829
1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063275
1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047615
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062169
1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063454
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 103558759
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047535
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047263
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107063602) is 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one is COC1(CC(=O)Cc2nnn(C)n2)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is UKBYMXXJIZSKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14-12-9(11-13-14)6-8(15)7-10(16-2)4-3-5-10/h3-7H2,1-2H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one?
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 224.26 g/mol, XLogP of 0.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107063602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).