2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

C12H17N3 — CID 167035691

IUPAC2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1nc2cccc(C(C)C)n2n1
InChIInChI=1S/C12H17N3/c1-8(2)10-6-5-7-11-13-12(9(3)4)14-15(10)11/h5-9H,1-4H3
InChIKeyBFMSBFKYPQLOFP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.98
Rot. Bonds2

About 2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 167035691) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID167035691
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1nc2cccc(C(C)C)n2n1
InChIInChI=1S/C12H17N3/c1-8(2)10-6-5-7-11-13-12(9(3)4)14-15(10)11/h5-9H,1-4H3
InChIKeyBFMSBFKYPQLOFP-UHFFFAOYSA-N
XLogP2.98
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 167035691) is 2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is CC(C)c1nc2cccc(C(C)C)n2n1.
What is the InChIKey of 2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BFMSBFKYPQLOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8(2)10-6-5-7-11-13-12(9(3)4)14-15(10)11/h5-9H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 203.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 167035691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).