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

C12H16N4 — CID 115394428

IUPAC3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine
SMILESCC(C)(C)n1cnnc1Cc1cccnc1
InChIInChI=1S/C12H16N4/c1-12(2,3)16-9-14-15-11(16)7-10-5-4-6-13-8-10/h4-6,8-9H,7H2,1-3H3
InChIKeyUCWNZSVEEWDZMH-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.02
Rot. Bonds2

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

3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine (PubChem CID 115394428) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine
PubChem CID115394428
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine
SMILESCC(C)(C)n1cnnc1Cc1cccnc1
InChIInChI=1S/C12H16N4/c1-12(2,3)16-9-14-15-11(16)7-10-5-4-6-13-8-10/h4-6,8-9H,7H2,1-3H3
InChIKeyUCWNZSVEEWDZMH-UHFFFAOYSA-N
XLogP2.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
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CID 114289854
3-ethylpyridine
CID 10823
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
CID 21365770
3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 52566711
4-tert-butyl-3-(pyridin-3-ylmethyl)-1H-imidazole-2-thione
CID 81339422
4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine
CID 114182228
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine?
The IUPAC name of 3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine (CID 115394428) is 3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine.
What is the SMILES notation for 3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine?
The canonical SMILES for 3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine is CC(C)(C)n1cnnc1Cc1cccnc1.
What is the InChIKey of 3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine?
The InChIKey is UCWNZSVEEWDZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(2,3)16-9-14-15-11(16)7-10-5-4-6-13-8-10/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine?
3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine has a molecular weight of 216.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-1,2,4-triazol-3-yl)methyl]pyridine is sourced from PubChem (CID 115394428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).