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

C11H14N4 — CID 58814007

IUPAC2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine
SMILESCC(C)(C)c1nncn1-c1ccccn1
InChIInChI=1S/C11H14N4/c1-11(2,3)10-14-13-8-15(10)9-6-4-5-7-12-9/h4-8H,1-3H3
InChIKeyLAWJHTMRLPZGCU-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.96
Rot. Bonds1

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

2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine (PubChem CID 58814007) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine
PubChem CID58814007
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine
SMILESCC(C)(C)c1nncn1-c1ccccn1
InChIInChI=1S/C11H14N4/c1-11(2,3)10-14-13-8-15(10)9-6-4-5-7-12-9/h4-8H,1-3H3
InChIKeyLAWJHTMRLPZGCU-UHFFFAOYSA-N
XLogP1.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine
CID 129175051
2-(3,4-ditert-butylpyrazol-1-yl)pyridine
CID 164762760
2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine
CID 123989835
2-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]pyridine
CID 864005
3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
CID 43381330
N-(2,3-dimethylphenyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 863990
2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 166024324
N-(4-methylphenyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 863992
3-pyridin-2-yl-1H-imidazol-2-one
CID 130008445
1-pyridin-2-ylpyrrole-2-carbonitrile
CID 114653179
1-phenyl-3-pyridin-2-ylimidazol-2-one
CID 102084904
3-tert-butyl-1-pyridin-2-ylpyrazole-5-carbonitrile
CID 58093568

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine (CID 58814007) is 2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine is CC(C)(C)c1nncn1-c1ccccn1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine?
The InChIKey is LAWJHTMRLPZGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-11(2,3)10-14-13-8-15(10)9-6-4-5-7-12-9/h4-8H,1-3H3.
What are the key properties of 2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine?
2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine has a molecular weight of 202.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 58814007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).