(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone

C11H16BrN3O2 — CID 106461726

IUPAC(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone
SMILESCCOC1(C(=O)c2c(Br)nnn2C)CCCC1
InChIInChI=1S/C11H16BrN3O2/c1-3-17-11(6-4-5-7-11)9(16)8-10(12)13-14-15(8)2/h3-7H2,1-2H3
InChIKeyNZPQGEWUINBVFL-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.11
Rot. Bonds4

About (5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone

(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone (PubChem CID 106461726) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone
PubChem CID106461726
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone
SMILESCCOC1(C(=O)c2c(Br)nnn2C)CCCC1
InChIInChI=1S/C11H16BrN3O2/c1-3-17-11(6-4-5-7-11)9(16)8-10(12)13-14-15(8)2/h3-7H2,1-2H3
InChIKeyNZPQGEWUINBVFL-UHFFFAOYSA-N
XLogP2.11
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclohexyl)methanone
CID 106461728
(1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464088
(5-bromo-3-methyltriazol-4-yl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 106461731
1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone
CID 106464364
(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone
CID 106461541
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanone
CID 114642836
(5-bromo-3-methyltriazol-4-yl)-cyclopentylmethanone
CID 106461493
(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114686277
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
(5-bromo-3-methyltriazol-4-yl)-(cyclohexen-1-yl)methanone
CID 106461763
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxy-3-methylbutan-1-one
CID 106461716
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanylethanone
CID 106461570

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone (CID 106461726) is (5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone is CCOC1(C(=O)c2c(Br)nnn2C)CCCC1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone?
The InChIKey is NZPQGEWUINBVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-3-17-11(6-4-5-7-11)9(16)8-10(12)13-14-15(8)2/h3-7H2,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone?
(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone has a molecular weight of 302.17 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(1-ethoxycyclopentyl)methanone is sourced from PubChem (CID 106461726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).