5-tert-butyl-1,2,4-triazine

C7H11N3 — CID 23383499

IUPAC5-tert-butyl-1,2,4-triazine
SMILESCC(C)(C)c1cnncn1
InChIInChI=1S/C7H11N3/c1-7(2,3)6-4-9-10-5-8-6/h4-5H,1-3H3
InChIKeyAQKYXIHGUXJDCK-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.17
Rot. Bonds

About 5-tert-butyl-1,2,4-triazine

5-tert-butyl-1,2,4-triazine (PubChem CID 23383499) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-tert-butyl-1,2,4-triazine.

Molecular Properties

Compound Name5-tert-butyl-1,2,4-triazine
PubChem CID23383499
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-tert-butyl-1,2,4-triazine
SMILESCC(C)(C)c1cnncn1
InChIInChI=1S/C7H11N3/c1-7(2,3)6-4-9-10-5-8-6/h4-5H,1-3H3
InChIKeyAQKYXIHGUXJDCK-UHFFFAOYSA-N
XLogP1.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

as-Triazine, 5-tert-butyl-3-(methylthio)-
CID 3052758
as-Triazine, 5-tert-butyl-3-methoxy-
CID 12853062
1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl-
CID 3070769
6-Tert-butyl-3-methyl-1,2,4-triazine
CID 12450647
1,2,4-Triazine, 5-methyl-
CID 140808
1,2,4-Triazine, 6-methyl-
CID 140809
6-tert-Butyl-3-methyl-4-oxo-1,2,4lambda~5~-triazine
CID 12450642
6-tert-Butyl-4-oxo-1,2,4lambda~5~-triazine
CID 12450643
6-t-Butyl-1,2,4-triazine
CID 23383515
3-Amino-5-(1-fluoro-1-methylethyl)-1,2,4-triazine
CID 22240088
3-(1-Fluoro-1-methylethyl)imidazo[1,2-b][1,2,4]triazine
CID 22240098
6-Propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine
CID 122642795

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2,4-triazine?
The IUPAC name of 5-tert-butyl-1,2,4-triazine (CID 23383499) is 5-tert-butyl-1,2,4-triazine.
What is the SMILES notation for 5-tert-butyl-1,2,4-triazine?
The canonical SMILES for 5-tert-butyl-1,2,4-triazine is CC(C)(C)c1cnncn1.
What is the InChIKey of 5-tert-butyl-1,2,4-triazine?
The InChIKey is AQKYXIHGUXJDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-7(2,3)6-4-9-10-5-8-6/h4-5H,1-3H3.
What are the key properties of 5-tert-butyl-1,2,4-triazine?
5-tert-butyl-1,2,4-triazine has a molecular weight of 137.19 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2,4-triazine is sourced from PubChem (CID 23383499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).