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

C7H11N3 — CID 23383515

IUPAC6-tert-butyl-1,2,4-triazine
SMILESCC(C)(C)c1cncnn1
InChIInChI=1S/C7H11N3/c1-7(2,3)6-4-8-5-9-10-6/h4-5H,1-3H3
InChIKeyAMGIIWRZTTYVIV-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.17
Rot. Bonds

About 6-tert-butyl-1,2,4-triazine

6-tert-butyl-1,2,4-triazine (PubChem CID 23383515) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 6-tert-butyl-1,2,4-triazine.

Molecular Properties

Compound Name6-tert-butyl-1,2,4-triazine
PubChem CID23383515
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name6-tert-butyl-1,2,4-triazine
SMILESCC(C)(C)c1cncnn1
InChIInChI=1S/C7H11N3/c1-7(2,3)6-4-8-5-9-10-6/h4-5H,1-3H3
InChIKeyAMGIIWRZTTYVIV-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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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2,4-triazine?
The IUPAC name of 6-tert-butyl-1,2,4-triazine (CID 23383515) is 6-tert-butyl-1,2,4-triazine.
What is the SMILES notation for 6-tert-butyl-1,2,4-triazine?
The canonical SMILES for 6-tert-butyl-1,2,4-triazine is CC(C)(C)c1cncnn1.
What is the InChIKey of 6-tert-butyl-1,2,4-triazine?
The InChIKey is AMGIIWRZTTYVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-7(2,3)6-4-8-5-9-10-6/h4-5H,1-3H3.
What are the key properties of 6-tert-butyl-1,2,4-triazine?
6-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 6-tert-butyl-1,2,4-triazine is sourced from PubChem (CID 23383515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).