2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane

C13H18BrN3O — CID 177187348

IUPAC2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane
SMILESBrc1nc2ccc(C3CCOCC3)cn2n1.CC
InChIInChI=1S/C11H12BrN3O.C2H6/c12-11-13-10-2-1-9(7-15(10)14-11)8-3-5-16-6-4-8;1-2/h1-2,7-8H,3-6H2;1-2H3
InChIKeyMWQQNBDGQJZUHU-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.41
Rot. Bonds1

About 2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane

2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane (PubChem CID 177187348) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane.

Molecular Properties

Compound Name2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane
PubChem CID177187348
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane
SMILESBrc1nc2ccc(C3CCOCC3)cn2n1.CC
InChIInChI=1S/C11H12BrN3O.C2H6/c12-11-13-10-2-1-9(7-15(10)14-11)8-3-5-16-6-4-8;1-2/h1-2,7-8H,3-6H2;1-2H3
InChIKeyMWQQNBDGQJZUHU-UHFFFAOYSA-N
XLogP3.41
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128942
2-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 71711015
6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128802
[2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol
CID 156518758
4-(4-methylphenyl)oxane
CID 46222621
6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 121260940
ethane;4-(4-ethylphenyl)oxane
CID 145044637
6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66570785
4-(3-bromo-5-methylphenyl)oxane
CID 130067648
6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-2-amine
CID 141209381
2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione
CID 165134144
7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine
CID 117133635

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane?
The IUPAC name of 2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane (CID 177187348) is 2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane.
What is the SMILES notation for 2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane?
The canonical SMILES for 2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane is Brc1nc2ccc(C3CCOCC3)cn2n1.CC.
What is the InChIKey of 2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane?
The InChIKey is MWQQNBDGQJZUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O.C2H6/c12-11-13-10-2-1-9(7-15(10)14-11)8-3-5-16-6-4-8;1-2/h1-2,7-8H,3-6H2;1-2H3.
What are the key properties of 2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane?
2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane has a molecular weight of 312.21 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;ethane is sourced from PubChem (CID 177187348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).