1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone

C10H14BrN3O2 — CID 106464364

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2c(Br)nnn2C)CCC1
InChIInChI=1S/C10H14BrN3O2/c1-14-8(9(11)12-13-14)7(15)6-10(16-2)4-3-5-10/h3-6H2,1-2H3
InChIKeyLFCNNDPFRAKSQX-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.72
Rot. Bonds4

About 1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone

1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 106464364) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID106464364
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2c(Br)nnn2C)CCC1
InChIInChI=1S/C10H14BrN3O2/c1-14-8(9(11)12-13-14)7(15)6-10(16-2)4-3-5-10/h3-6H2,1-2H3
InChIKeyLFCNNDPFRAKSQX-UHFFFAOYSA-N
XLogP1.72
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone
CID 106461726
3-amino-1-(5-bromo-3-methyltriazol-4-yl)propan-1-one
CID 84795806
(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclohexyl)methanone
CID 106461728
2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 103558819
(1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464088
(5-bromo-3-methyltriazol-4-yl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 106461731
(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone
CID 106461541
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanylethanone
CID 106461570
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063602
1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone
CID 106464093
1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-ylsulfanylethanone
CID 106461572
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555901

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone (CID 106464364) is 1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)c2c(Br)nnn2C)CCC1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is LFCNNDPFRAKSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-14-8(9(11)12-13-14)7(15)6-10(16-2)4-3-5-10/h3-6H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 288.14 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 106464364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).