5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine

C8H8BrN5O — CID 106596710

IUPAC5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine
SMILESCn1cnc(Oc2ncc(N)cc2Br)n1
InChIInChI=1S/C8H8BrN5O/c1-14-4-12-8(13-14)15-7-6(9)2-5(10)3-11-7/h2-4H,10H2,1H3
InChIKeyZGCBGPCNZAQFEO-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.35
Rot. Bonds2

About 5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine

5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine (PubChem CID 106596710) has the molecular formula C8H8BrN5O and a molecular weight of 270.09 g/mol. Its IUPAC name is 5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine
PubChem CID106596710
Molecular FormulaC8H8BrN5O
Molecular Weight270.09 g/mol
Exact Mass268.99
IUPAC Name5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine
SMILESCn1cnc(Oc2ncc(N)cc2Br)n1
InChIInChI=1S/C8H8BrN5O/c1-14-4-12-8(13-14)15-7-6(9)2-5(10)3-11-7/h2-4H,10H2,1H3
InChIKeyZGCBGPCNZAQFEO-UHFFFAOYSA-N
XLogP1.35
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine?
The IUPAC name of 5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine (CID 106596710) is 5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine?
The canonical SMILES for 5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine is Cn1cnc(Oc2ncc(N)cc2Br)n1.
What is the InChIKey of 5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine?
The InChIKey is ZGCBGPCNZAQFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O/c1-14-4-12-8(13-14)15-7-6(9)2-5(10)3-11-7/h2-4H,10H2,1H3.
What are the key properties of 5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine?
5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine has a molecular weight of 270.09 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 106596710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).