7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine

C10H13N3O — CID 171444719

IUPAC7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)Oc1ccn2ncnc2c1
InChIInChI=1S/C10H13N3O/c1-10(2,3)14-8-4-5-13-9(6-8)11-7-12-13/h4-7H,1-3H3
InChIKeyBJDUQEIUPQZQFU-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.91
Rot. Bonds1

About 7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine

7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 171444719) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID171444719
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)Oc1ccn2ncnc2c1
InChIInChI=1S/C10H13N3O/c1-10(2,3)14-8-4-5-13-9(6-8)11-7-12-13/h4-7H,1-3H3
InChIKeyBJDUQEIUPQZQFU-UHFFFAOYSA-N
XLogP1.91
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine (CID 171444719) is 7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)Oc1ccn2ncnc2c1.
What is the InChIKey of 7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BJDUQEIUPQZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2,3)14-8-4-5-13-9(6-8)11-7-12-13/h4-7H,1-3H3.
What are the key properties of 7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine?
7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 191.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 171444719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).