6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C15H15N3 — CID 177308311

IUPAC6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(-c3ccccc3)cn12
InChIInChI=1S/C15H15N3/c1-11(2)15-17-16-14-9-8-13(10-18(14)15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyWZMWPERIROCWMM-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.52
Rot. Bonds2

About 6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 177308311) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID177308311
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(-c3ccccc3)cn12
InChIInChI=1S/C15H15N3/c1-11(2)15-17-16-14-9-8-13(10-18(14)15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyWZMWPERIROCWMM-UHFFFAOYSA-N
XLogP3.52
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 11776952
N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline
CID 155539497
6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 130374155
5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole
CID 23433767
3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 114028936
6-bromo-3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 130277420
2-amino-2-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanol
CID 83889517
methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 84614376
4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
CID 23433783
6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 173185327
1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol
CID 137446618
4-(2-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
CID 23647319

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 177308311) is 6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2ccc(-c3ccccc3)cn12.
What is the InChIKey of 6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WZMWPERIROCWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11(2)15-17-16-14-9-8-13(10-18(14)15)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 237.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 177308311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).