1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol

C10H12BrN3OS — CID 106461235

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(C)(O)c1c(Br)nnn1C
InChIInChI=1S/C10H12BrN3OS/c1-6-4-5-16-8(6)10(2,15)7-9(11)12-13-14(7)3/h4-5,15H,1-3H3
InChIKeyFULMRXFHDWDRQD-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.20
Rot. Bonds2

About 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol

1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 106461235) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID106461235
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(C)(O)c1c(Br)nnn1C
InChIInChI=1S/C10H12BrN3OS/c1-6-4-5-16-8(6)10(2,15)7-9(11)12-13-14(7)3/h4-5,15H,1-3H3
InChIKeyFULMRXFHDWDRQD-UHFFFAOYSA-N
XLogP2.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol (CID 106461235) is 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol is Cc1ccsc1C(C)(O)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is FULMRXFHDWDRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-6-4-5-16-8(6)10(2,15)7-9(11)12-13-14(7)3/h4-5,15H,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol?
1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 302.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 106461235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).