(5-bromo-2-ethyltriazol-4-yl)methanol

C5H8BrN3O — CID 155937689

IUPAC(5-bromo-2-ethyltriazol-4-yl)methanol
SMILESCCn1nc(Br)c(CO)n1
InChIInChI=1S/C5H8BrN3O/c1-2-9-7-4(3-10)5(6)8-9/h10H,2-3H2,1H3
InChIKeyYZSXTFMBWZTNKO-UHFFFAOYSA-N
MW206.04 g/mol
LogP0.55
Rot. Bonds2

About (5-bromo-2-ethyltriazol-4-yl)methanol

(5-bromo-2-ethyltriazol-4-yl)methanol (PubChem CID 155937689) has the molecular formula C5H8BrN3O and a molecular weight of 206.04 g/mol. Its IUPAC name is (5-bromo-2-ethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-ethyltriazol-4-yl)methanol
PubChem CID155937689
Molecular FormulaC5H8BrN3O
Molecular Weight206.04 g/mol
Exact Mass204.99
IUPAC Name(5-bromo-2-ethyltriazol-4-yl)methanol
SMILESCCn1nc(Br)c(CO)n1
InChIInChI=1S/C5H8BrN3O/c1-2-9-7-4(3-10)5(6)8-9/h10H,2-3H2,1H3
InChIKeyYZSXTFMBWZTNKO-UHFFFAOYSA-N
XLogP0.55
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethyltriazol-4-yl)methanol?
The IUPAC name of (5-bromo-2-ethyltriazol-4-yl)methanol (CID 155937689) is (5-bromo-2-ethyltriazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-ethyltriazol-4-yl)methanol?
The canonical SMILES for (5-bromo-2-ethyltriazol-4-yl)methanol is CCn1nc(Br)c(CO)n1.
What is the InChIKey of (5-bromo-2-ethyltriazol-4-yl)methanol?
The InChIKey is YZSXTFMBWZTNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3O/c1-2-9-7-4(3-10)5(6)8-9/h10H,2-3H2,1H3.
What are the key properties of (5-bromo-2-ethyltriazol-4-yl)methanol?
(5-bromo-2-ethyltriazol-4-yl)methanol has a molecular weight of 206.04 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethyltriazol-4-yl)methanol is sourced from PubChem (CID 155937689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).