3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine

C11H20ClN5 — CID 14774768

IUPAC3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine
SMILESCC(C)(C)Nc1nnc(Cl)c(NC(C)(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-10(2,3)14-8-7(12)16-17-9(13-8)15-11(4,5)6/h1-6H3,(H2,13,14,15,17)
InChIKeyZKTRUWPDRMTWTO-UHFFFAOYSA-N
MW257.77 g/mol
LogP2.95
Rot. Bonds2

About 3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine

3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine (PubChem CID 14774768) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine
PubChem CID14774768
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine
SMILESCC(C)(C)Nc1nnc(Cl)c(NC(C)(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-10(2,3)14-8-7(12)16-17-9(13-8)15-11(4,5)6/h1-6H3,(H2,13,14,15,17)
InChIKeyZKTRUWPDRMTWTO-UHFFFAOYSA-N
XLogP2.95
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine (CID 14774768) is 3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine is CC(C)(C)Nc1nnc(Cl)c(NC(C)(C)C)n1.
What is the InChIKey of 3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine?
The InChIKey is ZKTRUWPDRMTWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5/c1-10(2,3)14-8-7(12)16-17-9(13-8)15-11(4,5)6/h1-6H3,(H2,13,14,15,17).
What are the key properties of 3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine?
3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine has a molecular weight of 257.77 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-ditert-butyl-6-chloro-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 14774768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).