4-tert-butyl-1,4-dihydro-1,3,5-triazine

C7H13N3 — CID 10749255

IUPAC4-tert-butyl-1,4-dihydro-1,3,5-triazine
SMILESCC(C)(C)C1N=CNC=N1
InChIInChI=1S/C7H13N3/c1-7(2,3)6-9-4-8-5-10-6/h4-6H,1-3H3,(H,8,9,10)
InChIKeyQHUSOODGUHHFOC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.02
Rot. Bonds

About 4-tert-butyl-1,4-dihydro-1,3,5-triazine

4-tert-butyl-1,4-dihydro-1,3,5-triazine (PubChem CID 10749255) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-tert-butyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-tert-butyl-1,4-dihydro-1,3,5-triazine
PubChem CID10749255
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-tert-butyl-1,4-dihydro-1,3,5-triazine
SMILESCC(C)(C)C1N=CNC=N1
InChIInChI=1S/C7H13N3/c1-7(2,3)6-9-4-8-5-10-6/h4-6H,1-3H3,(H,8,9,10)
InChIKeyQHUSOODGUHHFOC-UHFFFAOYSA-N
XLogP1.02
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-tert-butyl-1,4-dihydro-1,3,5-triazine (CID 10749255) is 4-tert-butyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-tert-butyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-tert-butyl-1,4-dihydro-1,3,5-triazine is CC(C)(C)C1N=CNC=N1.
What is the InChIKey of 4-tert-butyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is QHUSOODGUHHFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(2,3)6-9-4-8-5-10-6/h4-6H,1-3H3,(H,8,9,10).
What are the key properties of 4-tert-butyl-1,4-dihydro-1,3,5-triazine?
4-tert-butyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 139.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 10749255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).