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

C4H6BrN3O — CID 129116608

IUPAC(5-bromo-2-methyltriazol-4-yl)methanol
SMILESCn1nc(Br)c(CO)n1
InChIInChI=1S/C4H6BrN3O/c1-8-6-3(2-9)4(5)7-8/h9H,2H2,1H3
InChIKeyCERCXGYJJRDGRP-UHFFFAOYSA-N
MW192.02 g/mol
LogP0.07
Rot. Bonds1

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

(5-bromo-2-methyltriazol-4-yl)methanol (PubChem CID 129116608) has the molecular formula C4H6BrN3O and a molecular weight of 192.02 g/mol. Its IUPAC name is (5-bromo-2-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methyltriazol-4-yl)methanol
PubChem CID129116608
Molecular FormulaC4H6BrN3O
Molecular Weight192.02 g/mol
Exact Mass190.97
IUPAC Name(5-bromo-2-methyltriazol-4-yl)methanol
SMILESCn1nc(Br)c(CO)n1
InChIInChI=1S/C4H6BrN3O/c1-8-6-3(2-9)4(5)7-8/h9H,2H2,1H3
InChIKeyCERCXGYJJRDGRP-UHFFFAOYSA-N
XLogP0.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.02
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methyltriazol-4-yl)methanol?
The IUPAC name of (5-bromo-2-methyltriazol-4-yl)methanol (CID 129116608) is (5-bromo-2-methyltriazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-methyltriazol-4-yl)methanol?
The canonical SMILES for (5-bromo-2-methyltriazol-4-yl)methanol is Cn1nc(Br)c(CO)n1.
What is the InChIKey of (5-bromo-2-methyltriazol-4-yl)methanol?
The InChIKey is CERCXGYJJRDGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3O/c1-8-6-3(2-9)4(5)7-8/h9H,2H2,1H3.
What are the key properties of (5-bromo-2-methyltriazol-4-yl)methanol?
(5-bromo-2-methyltriazol-4-yl)methanol has a molecular weight of 192.02 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methyltriazol-4-yl)methanol is sourced from PubChem (CID 129116608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).