3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine

C15H21N5 — CID 112949416

IUPAC3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCN(Cc1ccccc1)c1nncc(NC(C)(C)C)n1
InChIInChI=1S/C15H21N5/c1-15(2,3)18-13-10-16-19-14(17-13)20(4)11-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3,(H,17,18,19)
InChIKeyFVGZFRDLCKYMRC-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.72
Rot. Bonds4

About 3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine

3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine (PubChem CID 112949416) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine
PubChem CID112949416
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCN(Cc1ccccc1)c1nncc(NC(C)(C)C)n1
InChIInChI=1S/C15H21N5/c1-15(2,3)18-13-10-16-19-14(17-13)20(4)11-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3,(H,17,18,19)
InChIKeyFVGZFRDLCKYMRC-UHFFFAOYSA-N
XLogP2.72
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine (CID 112949416) is 3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine is CN(Cc1ccccc1)c1nncc(NC(C)(C)C)n1.
What is the InChIKey of 3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine?
The InChIKey is FVGZFRDLCKYMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-15(2,3)18-13-10-16-19-14(17-13)20(4)11-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3,(H,17,18,19).
What are the key properties of 3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine?
3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112949416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).