6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C12H17N3 — CID 177282799

IUPAC6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cc(C(C)C)c2nncn2c1
InChIInChI=1S/C12H17N3/c1-8(2)10-5-11(9(3)4)12-14-13-7-15(12)6-10/h5-9H,1-4H3
InChIKeySONIZWJFJNJDCY-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.98
Rot. Bonds2

About 6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 177282799) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID177282799
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cc(C(C)C)c2nncn2c1
InChIInChI=1S/C12H17N3/c1-8(2)10-5-11(9(3)4)12-14-13-7-15(12)6-10/h5-9H,1-4H3
InChIKeySONIZWJFJNJDCY-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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Related Compounds

7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 59291756
6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 166885205
1-(2-methyl-6-propan-2-ylimidazo[1,2-a]pyridin-8-yl)ethanol
CID 172546334
6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 82059481
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
6-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;ethane
CID 155719641
12-(4-propan-2-ylphenyl)-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 703940
3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine
CID 83882087
3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine
CID 59534174
N-methyl-7-propan-2-ylpyrrolo[1,2-a]pyrimidin-2-amine
CID 177260695
7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 141420513
2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 24693648

Frequently Asked Questions

What is the IUPAC name of 6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 177282799) is 6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1cc(C(C)C)c2nncn2c1.
What is the InChIKey of 6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SONIZWJFJNJDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8(2)10-5-11(9(3)4)12-14-13-7-15(12)6-10/h5-9H,1-4H3.
What are the key properties of 6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-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 6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 177282799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).