3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol

C12H15BrN4O2 — CID 106102508

IUPAC3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1nc2c(Br)cccn2n1
InChIInChI=1S/C12H15BrN4O2/c1-8-12(18,4-6-19-8)7-14-11-15-10-9(13)3-2-5-17(10)16-11/h2-3,5,8,18H,4,6-7H2,1H3,(H,14,16)
InChIKeyCZNFCGMCQFLACU-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.44
Rot. Bonds3

About 3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106102508) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106102508
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1nc2c(Br)cccn2n1
InChIInChI=1S/C12H15BrN4O2/c1-8-12(18,4-6-19-8)7-14-11-15-10-9(13)3-2-5-17(10)16-11/h2-3,5,8,18H,4,6-7H2,1H3,(H,14,16)
InChIKeyCZNFCGMCQFLACU-UHFFFAOYSA-N
XLogP1.44
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol (CID 106102508) is 3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1nc2c(Br)cccn2n1.
What is the InChIKey of 3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is CZNFCGMCQFLACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-8-12(18,4-6-19-8)7-14-11-15-10-9(13)3-2-5-17(10)16-11/h2-3,5,8,18H,4,6-7H2,1H3,(H,14,16).
What are the key properties of 3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 327.18 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106102508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).