2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine

C13H18N4 — CID 129175051

IUPAC2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine
SMILESCC(C)(C)c1nncn1CCc1ccccn1
InChIInChI=1S/C13H18N4/c1-13(2,3)12-16-15-10-17(12)9-7-11-6-4-5-8-14-11/h4-6,8,10H,7,9H2,1-3H3
InChIKeyVANGHXUOZBWLTJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.21
Rot. Bonds3

About 2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine

2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine (PubChem CID 129175051) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine
PubChem CID129175051
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine
SMILESCC(C)(C)c1nncn1CCc1ccccn1
InChIInChI=1S/C13H18N4/c1-13(2,3)12-16-15-10-17(12)9-7-11-6-4-5-8-14-11/h4-6,8,10H,7,9H2,1-3H3
InChIKeyVANGHXUOZBWLTJ-UHFFFAOYSA-N
XLogP2.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146912
2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine
CID 58814007
5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine
CID 79547302
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
ethyl (2R)-2-[[4-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate
CID 95636163
[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 82468720
1-(4-methyl-1,2,4-triazol-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 62118649
2-(5,5-dimethylhexyl)pyridine
CID 151657269
1-(4-methyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethanone
CID 131165502
1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine
CID 60910683

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine?
The IUPAC name of 2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine (CID 129175051) is 2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine is CC(C)(C)c1nncn1CCc1ccccn1.
What is the InChIKey of 2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine?
The InChIKey is VANGHXUOZBWLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(2,3)12-16-15-10-17(12)9-7-11-6-4-5-8-14-11/h4-6,8,10H,7,9H2,1-3H3.
What are the key properties of 2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine?
2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine has a molecular weight of 230.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine is sourced from PubChem (CID 129175051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).